5-(4-methoxyphenyl)-8,8-dimethyl-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
Chemical Structure Depiction of
5-(4-methoxyphenyl)-8,8-dimethyl-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
5-(4-methoxyphenyl)-8,8-dimethyl-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
Compound characteristics
Compound ID: | 4065-0101 |
Compound Name: | 5-(4-methoxyphenyl)-8,8-dimethyl-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione |
Molecular Weight: | 383.47 |
Molecular Formula: | C20 H21 N3 O3 S |
Smiles: | CC1(C)CC2=C(C(C3=C(N2)NC(NC3=O)=S)c2ccc(cc2)OC)C(C1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.6224 |
logD: | 2.4805 |
logSw: | -3.0428 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 66.497 |
InChI Key: | DPWBRKIVBKPSIX-CQSZACIVSA-N |