(4-chloro-3-nitrophenyl)[4-(2-cyclohexyl-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-chloro-3-nitrophenyl)[4-(2-cyclohexyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
(4-chloro-3-nitrophenyl)[4-(2-cyclohexyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | V013-9306 |
| Compound Name: | (4-chloro-3-nitrophenyl)[4-(2-cyclohexyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone |
| Molecular Weight: | 554.11 |
| Molecular Formula: | C28 H32 Cl N5 O3 S |
| Salt: | not_available |
| Smiles: | C1CCC(CC1)c1nc(c2c3CCCCCc3sc2n1)N1CCN(CC1)C(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.1536 |
| logD: | 6.4869 |
| logSw: | -6.7567 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.009 |
| InChI Key: | KYVIBPOIPSRJLX-UHFFFAOYSA-N |