propyl 3-{2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
propyl 3-{2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamido}benzoate
propyl 3-{2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D306-0032 |
| Compound Name: | propyl 3-{2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 385.48 |
| Molecular Formula: | C20 H23 N3 O3 S |
| Smiles: | CCCOC(c1cccc(c1)NC(CSc1c2CCCc2nc(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4529 |
| logD: | 4.4459 |
| logSw: | -4.3436 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.267 |
| InChI Key: | QYZRJHJBZPJTKK-UHFFFAOYSA-N |