4-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Chemical Structure Depiction of
4-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
4-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Compound characteristics
| Compound ID: | IB02-2986 |
| Compound Name: | 4-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide |
| Molecular Weight: | 578.93 |
| Molecular Formula: | C31 H26 Cl3 N3 O2 |
| Smiles: | CCOc1ccc(cc1)c1c2CCCCN3C(=Cn(c1C(Nc1ccc(c(c1)[Cl])[Cl])=O)c23)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 9.15 |
| logD: | 9.15 |
| logSw: | -8.78 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.74 |
| InChI Key: | QXKLMNSJWSXULH-UHFFFAOYSA-N |