methyl 4-{[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]methyl}benzoate
methyl 4-{[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | D306-0288 |
| Compound Name: | methyl 4-{[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 314.4 |
| Molecular Formula: | C17 H18 N2 O2 S |
| Smiles: | Cc1nc2CCCc2c(n1)SCc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5744 |
| logD: | 3.5576 |
| logSw: | -3.7061 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.244 |
| InChI Key: | FPUROMFSVKWODA-UHFFFAOYSA-N |