ethyl 4-{[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
ethyl 4-{[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]methyl}benzoate
ethyl 4-{[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | D306-0371 |
| Compound Name: | ethyl 4-{[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 328.43 |
| Molecular Formula: | C18 H20 N2 O2 S |
| Smiles: | CCOC(c1ccc(CSc2c3CCCc3nc(C)n2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0851 |
| logD: | 4.0683 |
| logSw: | -4.1241 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.824 |
| InChI Key: | NOUIRGXMPUOJHE-UHFFFAOYSA-N |