Chemical ID: 6875288

CCC(C)OC(=O)C(C)n1cnc2c(c1=O)c(c(s2)C)c3ccc(cc3)F
Chemical ID:
6875288
Name [?]:
sec-butyl 2-[7-(4-fluorophenyl)-8-methyl-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]propanoate
SMILES [?]:
CCC(C)OC(=O)C(C)n1cnc2c(c1=O)c(c(s2)C)c3ccc(cc3)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21FN2O3S
All Atoms:48
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:11.1422
Area:581.591
Solvation:-3.39754
Coulombic:-46.3549
Bond Count [?]
All:29
Single:21
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:388.457
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.53
LogP (Chemaxon):4.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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