Chemical ID: 5132131

Cc1ccc(cc1)n2c(=O)c3c(c(sc3nc2SCC(=O)Nc4ccccc4[N+](=O)[O-])C)C
Chemical ID:
5132131
Name [?]:
2-[[8,9-dimethyl-2-oxo-3-(p-tolyl)-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-trien-4-yl]sulfanyl]-N-(2-nitrophenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1)n2c(=O)c3c(c(sc3nc2SCC(=O)Nc4ccccc4[N+](=O)[O-])C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H20N4O4S2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:10.0718
Area:695.263
Solvation:-7.30976
Coulombic:-57.9684
Bond Count [?]
All:36
Single:24
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:480.561
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.82
LogP (Chemaxon):5.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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