(4-chlorophenyl){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
(4-chlorophenyl){4-[2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}methanone
(4-chlorophenyl){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: | V001-2000 |
Compound Name: | (4-chlorophenyl){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: | 483.08 |
Molecular Formula: | C26 H31 Cl N4 O S |
Salt: | not_available |
Smiles: | CC(C)Cc1nc(c2c3CCCCCc3sc2n1)N1CCN(CC1)C(c1ccc(cc1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 6.9619 |
logD: | 6.3786 |
logSw: | -6.4578 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 40.998 |
InChI Key: | BCUYJKKKDFLIJD-UHFFFAOYSA-N |