Chemical ID: 5498750

Cc1c2cc(sc2n(n1)c3ccccc3)C(=O)OCC(=O)C(=C(C)N)C#N
Chemical ID:
5498750
Name [?]:
(4-amino-3-cyano-2-oxo-pent-3-enyl) 8-methyl-6-phenyl-4-thia-6,7-diazabicyclo[3.3.0]octa-2,7,9-triene-3-carboxylate
SMILES [?]:
Cc1c2cc(sc2n(n1)c3ccccc3)C(=O)OCC(=O)C(=C(C)N)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H16N4O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.0227
Area:611.072
Solvation:-4.25407
Coulombic:-51.8316
Bond Count [?]
All:29
Single:19
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:380.422
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.14
LogP (Chemaxon):1.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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