2-(4-chlorophenoxy)-1-[4-(2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-chlorophenoxy)-1-[4-(2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethan-1-one
2-(4-chlorophenoxy)-1-[4-(2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | V012-5114 |
| Compound Name: | 2-(4-chlorophenoxy)-1-[4-(2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 499.07 |
| Molecular Formula: | C26 H31 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CCCc1nc(c2c3CCCCCc3sc2n1)N1CCN(CC1)C(COc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.4402 |
| logD: | 5.9369 |
| logSw: | -6.2347 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.97 |
| InChI Key: | XGKBLLVUNGXRFL-UHFFFAOYSA-N |