(2-methylphenyl){4-[2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}methanone
Chemical Structure Depiction of
(2-methylphenyl){4-[2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}methanone
(2-methylphenyl){4-[2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | V001-2012 |
| Compound Name: | (2-methylphenyl){4-[2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}methanone |
| Molecular Weight: | 462.66 |
| Molecular Formula: | C27 H34 N4 O S |
| Salt: | not_available |
| Smiles: | CC(C)Cc1nc(c2c3CCCCCc3sc2n1)N1CCN(CC1)C(c1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7578 |
| logD: | 6.1745 |
| logSw: | -5.7726 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.998 |
| InChI Key: | NKACPTZIBYZREZ-UHFFFAOYSA-N |