Chemical ID: 4463845

CCOC(=O)c1c(c2c(ncnc2s1)NCc3ccc(cc3)Cl)C
Chemical ID:
4463845
Name [?]:
ethyl 2-[(4-chlorophenyl)methylamino]-9-methyl-7-thia-3,5-diazabicyclo[4.3.0]nona-2,4,8,10-tetraene-8-carboxylate
SMILES [?]:
CCOC(=O)c1c(c2c(ncnc2s1)NCc3ccc(cc3)Cl)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H16ClN3O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.9848
Area:571.451
Solvation:-2.30147
Coulombic:-44.2555
Bond Count [?]
All:26
Single:18
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:361.847
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.39
LogP (Chemaxon):4.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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