Chemical ID: 5191079

Cc1cccc(c1)N2C(NC(=O)C(=C2S)C#N)c3ccc(c(c3)OC)OC(C)C
Chemical ID:
5191079
Name [?]:
2-(4-isopropoxy-3-methoxy-phenyl)-1-(m-tolyl)-4-oxo-6-sulfanyl-2,3-dihydropyrimidine-5-carbonitrile
SMILES [?]:
Cc1cccc(c1)N2C(NC(=O)C(=C2S)C#N)c3ccc(c(c3)OC)OC(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23N3O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.08928
Area:602.19
Solvation:-5.96547
Coulombic:-47.8715
Bond Count [?]
All:31
Single:22
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:409.502
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.62
LogP (Chemaxon):4.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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