Chemical ID: 4430540

CCOc1ccc(cc1OCC)C2C(=C(N=C(N2)S)C)C(=O)OC(C)C
Chemical ID:
4430540
Name [?]:
isopropyl 4-(3,4-diethoxyphenyl)-6-methyl-2-sulfanyl-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCOc1ccc(cc1OCC)C2C(=C(N=C(N2)S)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:9.58022
Area:589.502
Solvation:-5.15732
Coulombic:-52.9451
Bond Count [?]
All:27
Single:21
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:378.487
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.07
LogP (Chemaxon):2.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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