Chemical ID: 3845217

CCn1c(=O)c2c(c(sc2nc1SCC(=O)Nc3cccc(c3)C(=O)OCC)C)C
Chemical ID:
3845217
Name [?]:
ethyl 3-[2-[(3-ethyl-8,9-dimethyl-2-oxo-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-trien-4-yl)sulfanyl]acetyl]aminobenzoate
SMILES [?]:
CCn1c(=O)c2c(c(sc2nc1SCC(=O)Nc3cccc(c3)C(=O)OCC)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H23N3O4S2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.2647
Area:679.777
Solvation:-3.72968
Coulombic:-63.3022
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:445.557
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.19
LogP (Chemaxon):3.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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