N-(2-chlorophenyl)-1-(4-chlorophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-1-(4-chlorophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
N-(2-chlorophenyl)-1-(4-chlorophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Compound characteristics
| Compound ID: | IB05-7249 |
| Compound Name: | N-(2-chlorophenyl)-1-(4-chlorophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide |
| Molecular Weight: | 530.45 |
| Molecular Formula: | C30 H25 Cl2 N3 O2 |
| Smiles: | COc1ccc(cc1)C1=Cn2c(C(Nc3ccccc3[Cl])=O)c(c3ccc(cc3)[Cl])c3CCCCN1c23 |
| Stereo: | ACHIRAL |
| logP: | 7.54 |
| logD: | 7.54 |
| logSw: | -7.41 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.98 |
| InChI Key: | DWZQXGAACOGDEF-UHFFFAOYSA-N |