1-benzyl-4-{[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
Chemical Structure Depiction of
1-benzyl-4-{[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
1-benzyl-4-{[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
Compound characteristics
| Compound ID: | D468-0669 |
| Compound Name: | 1-benzyl-4-{[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one |
| Molecular Weight: | 440.95 |
| Molecular Formula: | C23 H21 Cl N2 O3 S |
| Smiles: | [H]C([H])(C(c1ccc(c(c1)[Cl])OC)=O)SC1C2CCCC=2N(Cc2ccccc2)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5023 |
| logD: | 4.5023 |
| logSw: | -4.7347 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.363 |
| InChI Key: | CAKXUWHUFDUYEB-UHFFFAOYSA-N |