Chemical ID: 6147220

COc1ccc(cc1)NC(=O)Cn2cnc3c(c2=O)c(cs3)c4ccccc4
Chemical ID:
6147220
Name [?]:
N-(4-methoxyphenyl)-2-(5-oxo-7-phenyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl)-acetamide
SMILES [?]:
COc1ccc(cc1)NC(=O)Cn2cnc3c(c2=O)c(cs3)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H17N3O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.68509
Area:587.717
Solvation:-5.00784
Coulombic:-50.0894
Bond Count [?]
All:31
Single:20
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:391.444
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.7
LogP (Chemaxon):3.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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