1-(4-chlorophenyl)-4-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-4-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
1-(4-chlorophenyl)-4-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
Compound characteristics
Compound ID: | D468-1098 |
Compound Name: | 1-(4-chlorophenyl)-4-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one |
Molecular Weight: | 456.95 |
Molecular Formula: | C23 H21 Cl N2 O4 S |
Smiles: | [H]C([H])(C(c1ccc(c(c1)OC)OC)=O)SC1C2CCCC=2N(C(N=1)=O)c1ccc(cc1)[Cl] |
Stereo: | ACHIRAL |
logP: | 3.9252 |
logD: | 3.9249 |
logSw: | -4.5243 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 52.382 |
InChI Key: | NOSYDMTVWQGFFU-UHFFFAOYSA-N |