ethyl 2-{2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamido}benzoate
ethyl 2-{2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D306-0046 |
| Compound Name: | ethyl 2-{2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 371.46 |
| Molecular Formula: | C19 H21 N3 O3 S |
| Smiles: | CCOC(c1ccccc1NC(CSc1c2CCCc2nc(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4274 |
| logD: | 3.4048 |
| logSw: | -3.7257 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.275 |
| InChI Key: | MCTVADUXHIZETK-UHFFFAOYSA-N |