Chemical ID: 5448222

CCC(C)c1ccc(cc1)n2c(=O)c3ccccc3nc2SCC(=O)NCC=C
Chemical ID:
5448222
Name [?]:
N-allyl-2-[4-oxo-3-(4-sec-butylphenyl)-quinazolin-2-yl]sulfanyl-acetamide
SMILES [?]:
CCC(C)c1ccc(cc1)n2c(=O)c3ccccc3nc2SCC(=O)NCC=C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H25N3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:13.322
Area:659.303
Solvation:-3.16057
Coulombic:-47.4105
Bond Count [?]
All:31
Single:21
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:407.53
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.65
LogP (Chemaxon):4.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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