(2H-1,3-benzodioxol-5-yl){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
(2H-1,3-benzodioxol-5-yl){4-[2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}methanone
(2H-1,3-benzodioxol-5-yl){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: | V001-2059 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl){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: | 492.64 |
| Molecular Formula: | C27 H32 N4 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)Cc1nc(c2c3CCCCCc3sc2n1)N1CCN(CC1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2055 |
| logD: | 5.6223 |
| logSw: | -5.6496 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.114 |
| InChI Key: | QLQMUMCKDCXMCO-UHFFFAOYSA-N |