Chemical ID: 4599438

CC1=C(C(c2c(=O)[nH]c(nc2N1)SC)c3cccc(c3)[N+](=O)[O-])C(=O)OC
Chemical ID:
4599438
Name [?]:
methyl 8-methyl-4-methylsulfanyl-10-(3-nitrophenyl)-2-oxo-3,5,7-triazabicyclo[4.4.0]deca-4,8,11-triene-9-carboxylate
SMILES [?]:
CC1=C(C(c2c(=O)[nH]c(nc2N1)SC)c3cccc(c3)[N+](=O)[O-])C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H16N4O5S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:5.91555
Area:548.061
Solvation:-7.78598
Coulombic:-69.0015
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:388.399
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.68
LogP (Chemaxon):2.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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