Chemical ID: 3999469

c1ccc(cc1)CCn2c(=O)c3ccc(cc3nc2S)C(=O)O
Chemical ID:
3999469
Name [?]:
4-oxo-3-phenethyl-2-sulfanyl-quinazoline-7-carboxylic acid
SMILES [?]:
c1ccc(cc1)CCn2c(=O)c3ccc(cc3nc2S)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H14N2O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.3142
Area:519.53
Solvation:-2.67406
Coulombic:-53.5365
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:326.371
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.71
LogP (Chemaxon):3.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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