Chemical ID: 5525825

Cc1cccc(c1)N2C(NC(=O)C(=C2S)C#N)c3cc(c(c(c3)OC)OC)OC
Chemical ID:
5525825
Name [?]:
1-(m-tolyl)-4-oxo-6-sulfanyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydropyrimidine-5-carbonitrile
SMILES [?]:
Cc1cccc(c1)N2C(NC(=O)C(=C2S)C#N)c3cc(c(c(c3)OC)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21N3O4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:7.40307
Area:591.124
Solvation:-7.37503
Coulombic:-54.5034
Bond Count [?]
All:31
Single:22
Double:8
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:411.475
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.51
LogP (Chemaxon):3.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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