Chemical ID: 6615992

CCOc1ccc(cc1OCC)C2C(=C(NC(=S)N2)C)C(=O)OC(C)C
Chemical ID:
6615992
Name [?]:
isopropyl 4-(3,4-diethoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILES [?]:
CCOc1ccc(cc1OCC)C2C(=C(NC(=S)N2)C)C(=O)OC(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H26N2O4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.8399
Area:579.48
Solvation:-4.64711
Coulombic:-58.399
Bond Count [?]
All:27
Single:21
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:378.487
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.36
LogP (Chemaxon):1.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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