Chemical ID: 4819153

CC(C)OC(=O)C1=c2n(c(=O)c(=Cc3cccnc3)s2)C(=C(C1c4cccnc4)C#N)N
Chemical ID:
4819153
Name [?]:
isopropyl 5-amino-4-cyano-7-oxo-3-(3-pyridyl)-8-(3-pyridylmethylene)-9-thia-6-azabicyclo[4.3.0]nona-1,4-diene-2-carboxylate
SMILES [?]:
CC(C)OC(=O)C1=c2n(c(=O)c(=Cc3cccnc3)s2)C(=C(C1c4cccnc4)C#N)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H19N5O3S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.3006
Area:629.589
Solvation:-4.43917
Coulombic:-63.2288
Bond Count [?]
All:35
Single:23
Double:11
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:445.495
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.74
LogP (Chemaxon):2.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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