(2H-1,3-benzodioxol-5-yl){4-[2-(butan-2-yl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl){4-[2-(butan-2-yl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}methanone
(2H-1,3-benzodioxol-5-yl){4-[2-(butan-2-yl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | V012-5070 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl){4-[2-(butan-2-yl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[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: | CCC(C)c1nc(c2c3CCC(C)Cc3sc2n1)N1CCN(CC1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.2307 |
| logD: | 5.8125 |
| logSw: | -5.8515 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.792 |
| InChI Key: | QLYVYOAXMGQAQS-UHFFFAOYSA-N |