Chemical ID: 4193431

CC1=C(C(NC(=S)N1)c2cc(c(cc2OC)OC)OC)C(=O)Nc3ccccc3Cl
Chemical ID:
4193431
Name [?]:
N-(2-chlorophenyl)-4-methyl-2-thioxo-6-(2,4,5-trimethoxyphenyl)-3,6-dihydro-1H-pyrimidine-5-carboxamide
SMILES [?]:
CC1=C(C(NC(=S)N1)c2cc(c(cc2OC)OC)OC)C(=O)Nc3ccccc3Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H22ClN3O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:9.23699
Area:607.283
Solvation:-5.94509
Coulombic:-66.7244
Bond Count [?]
All:32
Single:23
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:447.936
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:3.2
LogP (Chemaxon):1.57

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Descriptor Annotations

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