N,4-bis(4-chlorophenyl)-1-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Chemical Structure Depiction of
N,4-bis(4-chlorophenyl)-1-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
N,4-bis(4-chlorophenyl)-1-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Compound characteristics
| Compound ID: | 8017-4189 |
| Compound Name: | N,4-bis(4-chlorophenyl)-1-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide |
| Molecular Weight: | 528.48 |
| Molecular Formula: | C31 H27 Cl2 N3 O |
| Smiles: | Cc1ccc(cc1C)c1c2CCCCN3C(=Cn(c1C(Nc1ccc(cc1)[Cl])=O)c23)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 8.6607 |
| logD: | 8.6607 |
| logSw: | -6.8123 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.7391 |
| InChI Key: | JBKJZVHWICSFFO-UHFFFAOYSA-N |