4-(4-bromophenyl)-1-[(3-chloro-2-methylanilino)methyl]-N-(3-chlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide
Chemical Structure Depiction of
4-(4-bromophenyl)-1-[(3-chloro-2-methylanilino)methyl]-N-(3-chlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide
4-(4-bromophenyl)-1-[(3-chloro-2-methylanilino)methyl]-N-(3-chlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide
Compound characteristics
| Compound ID: | 8014-7243 |
| Compound Name: | 4-(4-bromophenyl)-1-[(3-chloro-2-methylanilino)methyl]-N-(3-chlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide |
| Molecular Weight: | 623.38 |
| Molecular Formula: | C30 H26 Br Cl2 N5 O |
| Smiles: | Cc1c(cccc1[Cl])NCC1=Nn2c(C(Nc3cccc(c3)[Cl])=O)c(c3ccc(cc3)[Br])c3CCCCN1c23 |
| Stereo: | ACHIRAL |
| logP: | 9.2413 |
| logD: | 9.2413 |
| logSw: | -6.647 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.339 |
| InChI Key: | PWXCCODQZMULJI-UHFFFAOYSA-N |