2-chloro-1-{4-[7-methyl-2-(propan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-phenylethan-1-one
Chemical Structure Depiction of
2-chloro-1-{4-[7-methyl-2-(propan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-phenylethan-1-one
2-chloro-1-{4-[7-methyl-2-(propan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-phenylethan-1-one
Compound characteristics
| Compound ID: | V001-3967 |
| Compound Name: | 2-chloro-1-{4-[7-methyl-2-(propan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-phenylethan-1-one |
| Molecular Weight: | 483.08 |
| Molecular Formula: | C26 H31 Cl N4 O S |
| Salt: | not_available |
| Smiles: | CC1CCc2c3c(nc(C(C)C)nc3sc2C1)N1CCN(CC1)C(C(c1ccccc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.6536 |
| logD: | 6.3013 |
| logSw: | -5.9296 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.676 |
| InChI Key: | YYSHESIIZQTMRF-UHFFFAOYSA-N |