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5.6783
3
5.3211
6.9674
7.2619
10.8497
7.2619
8.7619
3
3.866
4.732
4.732
3.866
2
2.5
5.6783
6.2619
5.9889
7.7619
9.2619
5.6318
10.2619
10.8497
11.8007
11.8007
4.2646
3.4675
3.4675
4.2646
2
1.38
2
3.0369
2.19
1.9631
7.5719
9.0719
8.6793
9.3695
6.2211
5.8244
5.0424
10.6581
12.3023
12.3023
-1.2592
-0.9545
2.045
1.507
-2.1866
-1.3775
-0.4545
-1.3205
0.0455
0.5455
0.0455
-0.9545
-1.4545
0.0455
0.9115
0.3502
-0.4545
1.3008
-1.3205
-2.1866
2.9956
-2.1866
-2.9956
-2.6866
-1.6866
1.0204
1.0204
-1.9294
-1.9294
0.6655
0.0455
-0.5745
1.2215
1.4485
0.6015
0.0824
-0.7836
-2.3986
-2.7971
2.803
3.5849
3.1882
-3.5852
-3.051
-1.3221
8
8
8
8
8
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8
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8
8
1
1
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6
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17
22
25
12
16
17
23
24
25
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
515
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.396
Cactvs
xemistry.com
2012.02.08
2
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371E07B380040000000000000000000000000012240000024000000000000004801E000001E04100000000C44E1D806338D82C004488C02A8D2D8008308806528190888918E4CC88E263AE4B5BB8719A8EEC61378E9E7987D1E4E80000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
methyl 2-(2-furylmethylcarbamoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-[[(2-furanylmethylamino)-oxomethyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid methyl ester
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
methyl 2-(furan-2-ylmethylcarbamoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
methyl 2-(furan-2-ylmethylcarbamoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-(2-furfurylcarbamoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid methyl ester
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
InChI=1S/C17H20N2O5S/c1-17(2)7-11-12(9-24-17)25-14(13(11)15(20)22-3)19-16(21)18-8-10-5-4-6-23-10/h4-6H,7-9H2,1-3H3,(H2,18,19,21)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
GBDVPKDZKMDIGI-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
2.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
364.109293
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C17H20N2O5S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
364.4161
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
CC1(CC2=C(CO1)SC(=C2C(=O)OC)NC(=O)NCC3=CC=CO3)C
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
CC1(CC2=C(CO1)SC(=C2C(=O)OC)NC(=O)NCC3=CC=CO3)C
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
118
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
364.109293
25
0
0
0
0
0
0
0
1
7