propan-2-yl 4-{[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino}benzoate
Chemical Structure Depiction of
propan-2-yl 4-{[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino}benzoate
propan-2-yl 4-{[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino}benzoate
Compound characteristics
| Compound ID: | D278-0196 |
| Compound Name: | propan-2-yl 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: | CC(C)OC(c1ccc(cc1)Nc1c2CCCc2nc(n1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6847 |
| logD: | 4.5919 |
| logSw: | -4.3656 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.304 |
| InChI Key: | IACIYUFXNKDHRY-UHFFFAOYSA-N |