{4-[2-(butan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}(3-methoxyphenyl)methanone
Chemical Structure Depiction of
{4-[2-(butan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}(3-methoxyphenyl)methanone
{4-[2-(butan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}(3-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | V012-5024 |
| Compound Name: | {4-[2-(butan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}(3-methoxyphenyl)methanone |
| Molecular Weight: | 478.66 |
| Molecular Formula: | C27 H34 N4 O2 S |
| Salt: | not_available |
| Smiles: | CCC(C)c1nc(c2c3CCCCCc3sc2n1)N1CCN(CC1)C(c1cccc(c1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4324 |
| logD: | 5.8568 |
| logSw: | -5.7391 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.551 |
| InChI Key: | XSPDVUCMQVSIME-SFHVURJKSA-N |