1-[4-(4-chlorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]propan-1-one
Chemical Structure Depiction of
1-[4-(4-chlorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]propan-1-one
1-[4-(4-chlorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]propan-1-one
Compound characteristics
| Compound ID: | IB07-9017 |
| Compound Name: | 1-[4-(4-chlorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]propan-1-one |
| Molecular Weight: | 402.92 |
| Molecular Formula: | C25 H23 Cl N2 O |
| Smiles: | CCC(c1c(c2ccccc2)c2CCCCN3C(=Cn1c23)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.2 |
| logD: | 6.2 |
| logSw: | -6.74 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 25.16 |
| InChI Key: | BHNWZRKRLIMKGR-UHFFFAOYSA-N |