Chemical ID: 4718036

CC(C)(C)c1ccc(cc1)Oc2c3c(nc(n2)SCc4ccccc4Cl)CCCC3
Chemical ID:
4718036
Name [?]:
2-[(2-chlorophenyl)methylsulfanyl]-4-(4-tert-butylphenoxy)-5,6,7,8-tetrahydroquinazoline
SMILES [?]:
CC(C)(C)c1ccc(cc1)Oc2c3c(nc(n2)SCc4ccccc4Cl)CCCC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H27ClN2OS
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.4186
Area:602.644
Solvation:-1.64753
Coulombic:-25.3462
Bond Count [?]
All:33
Single:24
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:439.013
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:7.57
LogP (Chemaxon):8.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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