2288294
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3.732
7.1962
5.4641
5.4641
6.3301
5.4641
6.3301
4.5981
4.5981
6.3301
5.4641
6.3301
7.1962
3.732
7.1962
8.0622
8.0622
3.732
2.866
2.866
3.732
2
3.732
2
2.866
4.8535
5.252
6.8671
5.7932
7.1962
3.1951
7.1962
8.5991
8.5991
4.269
2.3291
4.269
1.4631
4.269
1.4631
2.866
-1.75
-1.75
1.25
-1.75
-0.25
-2.75
-3.25
-1.25
-0.25
-1.25
0.25
-4.25
-2.75
0.25
-4.75
-3.25
-4.25
1.25
1.75
2.75
3.25
3.25
4.25
4.25
4.75
-2.6423
-3.3326
0.06
-4.56
-2.13
-0.06
-5.37
-2.94
-4.56
1.56
1.44
2.94
2.94
4.56
4.56
5.37
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
582
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B30000000000000000000000000000000000000003C6080000000000000014000001E00100000000C00C19804310083C000008802215210008200002000000888010804C888202A88D1118420086887228889871080000E00000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5E)-1-benzyl-5-[(E)-3-phenylprop-2-enylidene]hexahydropyrimidine-2,4,6-trione
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5E)-1-(phenylmethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5E)-1-benzyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5E)-1-(phenylmethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5E)-1-benzyl-5-[(E)-3-phenylprop-2-enylidene]barbituric acid
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C20H16N2O3/c23-18-17(13-7-12-15-8-3-1-4-9-15)19(24)22(20(25)21-18)14-16-10-5-2-6-11-16/h1-13H,14H2,(H,21,23,25)/b12-7+,17-13+
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
RXHBGFUGZMNJRE-LYXWDPSCSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
332.116092
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C20H16N2O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
332.35264
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)CN2C(=O)C(=CC=CC3=CC=CC=C3)C(=O)NC2=O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)CN2C(=O)/C(=C/C=C/C3=CC=CC=C3)/C(=O)NC2=O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
66.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
332.116092
25
0
0
0
2
2
0
0
1
3