Chemical ID: 5171262

CCOc1ccccc1NC(=O)Cn2cnc3c(c2=O)c(cs3)c4ccc(cc4)C
Chemical ID:
5171262
Name [?]:
N-(2-ethoxyphenyl)-2-[5-oxo-7-(p-tolyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]-acetamide
SMILES [?]:
CCOc1ccccc1NC(=O)Cn2cnc3c(c2=O)c(cs3)c4ccc(cc4)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H21N3O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.3236
Area:635.435
Solvation:-4.56228
Coulombic:-51.3362
Bond Count [?]
All:33
Single:22
Double:11
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:419.497
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.56
LogP (Chemaxon):4.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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