1,4-bis(4-bromophenyl)-N-(3-chlorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Chemical Structure Depiction of
1,4-bis(4-bromophenyl)-N-(3-chlorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
1,4-bis(4-bromophenyl)-N-(3-chlorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Compound characteristics
| Compound ID: | 8017-8921 |
| Compound Name: | 1,4-bis(4-bromophenyl)-N-(3-chlorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide |
| Molecular Weight: | 623.77 |
| Molecular Formula: | C29 H22 Br2 Cl N3 O |
| Smiles: | C1CCN2C(=Cn3c(C(Nc4cccc(c4)[Cl])=O)c(c4ccc(cc4)[Br])c(C1)c23)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 9.1312 |
| logD: | 9.1312 |
| logSw: | -6.9212 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.7391 |
| InChI Key: | MYXBDPOFWVBLKL-UHFFFAOYSA-N |