Chemical ID: 4639147

Cc1c(sc2c1c(=O)n(c(n2)SCC(=O)Nc3ccc(cc3)[N+](=O)[O-])c4ccc(cc4)Cl)C
Chemical ID:
4639147
Name [?]:
2-[[4-(4-chlorophenyl)-7,8-dimethyl-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-3-yl]sulfanyl]-N-(4-nitrophenyl)-acetamide
SMILES [?]:
Cc1c(sc2c1c(=O)n(c(n2)SCC(=O)Nc3ccc(cc3)[N+](=O)[O-])c4ccc(cc4)Cl)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H17ClN4O4S2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:9.26546
Area:714.603
Solvation:-8.59961
Coulombic:-55.3423
Bond Count [?]
All:36
Single:24
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:500.98
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.37
LogP (Chemaxon):5.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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