4-(4-bromophenyl)-N-(3-chlorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide
Chemical Structure Depiction of
4-(4-bromophenyl)-N-(3-chlorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide
4-(4-bromophenyl)-N-(3-chlorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide
Compound characteristics
| Compound ID: | 8013-5184 |
| Compound Name: | 4-(4-bromophenyl)-N-(3-chlorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide |
| Molecular Weight: | 545.87 |
| Molecular Formula: | C28 H22 Br Cl N4 O |
| Smiles: | C1CCN2C(c3ccccc3)=Nn3c(C(Nc4cccc(c4)[Cl])=O)c(c4ccc(cc4)[Br])c(C1)c23 |
| Stereo: | ACHIRAL |
| logP: | 8.4014 |
| logD: | 8.4012 |
| logSw: | -6.8196 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.675 |
| InChI Key: | VKPLYXBWNBPQLJ-UHFFFAOYSA-N |