propyl 4-{[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino}benzoate
Chemical Structure Depiction of
propyl 4-{[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino}benzoate
propyl 4-{[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino}benzoate
Compound characteristics
| Compound ID: | D278-0180 |
| Compound Name: | propyl 4-{[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino}benzoate |
| Molecular Weight: | 343.45 |
| Molecular Formula: | C18 H21 N3 O2 S |
| Smiles: | CCCOC(c1ccc(cc1)Nc1c2CCCc2nc(n1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1022 |
| logD: | 5.0094 |
| logSw: | -4.845 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.919 |
| InChI Key: | RBHQMRBGQVFLGV-UHFFFAOYSA-N |