2904452
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9.0398
8.9073
3.732
5.4641
5.6915
7.4128
7.2437
6.3301
5.4641
6.4347
5.4641
7.8195
7.9128
4.5981
6.3301
4.5981
5.4641
6.3301
8.8141
7.2318
9.2208
7.6385
2.866
8.633
6.3301
2
6.3301
4.9272
7.3726
6.8671
4.0611
6.8671
9.1785
6.6152
9.8374
7.2741
2.4675
3.2646
6.9407
6.5422
2.31
1.4631
1.69
5.7101
6.3301
6.9501
5.4283
0.8036
-0.9283
-3.9283
2.2353
1.7741
0.165
0.5717
-0.9283
1.5662
0.0717
2.6877
0.9081
-1.4283
-1.4283
-2.4283
-2.9283
-2.4283
2.7922
3.4967
3.7058
4.4102
-1.4283
4.5148
-4.4283
-0.9283
-5.4283
0.3817
-0.4415
-1.1183
-2.7383
-2.7383
2.2906
3.4319
3.7706
4.9118
-1.9033
-1.9033
-4.536
-3.8457
-0.3914
-0.6183
-1.4652
-5.4283
-6.0483
-5.4283
1
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
578
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.396
Cactvs
xemistry.com
2012.02.08
1
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371E07B3000401000000000000000000000000160000000306000000000000000014000001E0450000001AC0CA1980233C683C004008C022552500082080021220D088800866CE88C6722C4B1BB963828EDC517C8EBB790E02C0E20002008000800004000401000100000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
3-(4-bromophenyl)-5-[(2,4-diethoxyphenyl)methylene]-2-thioxo-imidazolidin-4-one
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
3-(4-bromophenyl)-5-[(2,4-diethoxyphenyl)methylidene]-2-sulfanylidene-4-imidazolidinone
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
3-(4-bromophenyl)-5-[(2,4-diethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
3-(4-bromophenyl)-5-[(2,4-diethoxyphenyl)methylidene]-2-sulfanylidene-imidazolidin-4-one
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
3-(4-bromophenyl)-5-(2,4-diethoxybenzylidene)-2-thioxo-4-imidazolidinone
InChI
Standard
1
1.0.4
InChI
nist.gov
2012.02.08
InChI=1S/C20H19BrN2O3S/c1-3-25-16-10-5-13(18(12-16)26-4-2)11-17-19(24)23(20(27)22-17)15-8-6-14(21)7-9-15/h5-12H,3-4H2,1-2H3,(H,22,27)
InChIKey
Standard
1
1.0.4
InChI
nist.gov
2012.02.08
FNFOSGGTKDXURE-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
4.8
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
446.029976
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C20H19BrN2O3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
447.34546
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
CCOC1=CC(=C(C=C1)C=C2C(=O)N(C(=S)N2)C3=CC=C(C=C3)Br)OCC
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
CCOC1=CC(=C(C=C1)C=C2C(=O)N(C(=S)N2)C3=CC=C(C=C3)Br)OCC
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
82.9
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
446.029976
27
0
0
0
1
0
1
0
1
2