2-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
2-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | F145-0571 |
| Compound Name: | 2-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 442.62 |
| Molecular Formula: | C24 H34 N4 O2 S |
| Smiles: | C1CCC(CC1)N1CCN(CC1)C(CCC1NC(c2c3CCCCCc3sc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6517 |
| logD: | 3.3525 |
| logSw: | -4.1473 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.54 |
| InChI Key: | AJUWKLFIELPQTP-UHFFFAOYSA-N |