1-(4-bromophenyl)-N-(4-chlorophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide
Chemical Structure Depiction of
1-(4-bromophenyl)-N-(4-chlorophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide
1-(4-bromophenyl)-N-(4-chlorophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide
Compound characteristics
| Compound ID: | 3335-0814 |
| Compound Name: | 1-(4-bromophenyl)-N-(4-chlorophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide |
| Molecular Weight: | 575.89 |
| Molecular Formula: | C29 H24 Br Cl N4 O2 |
| Smiles: | COc1ccc(cc1)c1c2CCCCN3C(c4ccc(cc4)[Br])=Nn(c1C(Nc1ccc(cc1)[Cl])=O)c23 |
| Stereo: | ACHIRAL |
| logP: | 8.33 |
| logD: | 8.3298 |
| logSw: | -6.9664 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.219 |
| InChI Key: | KBCQWIVQUMUUGG-UHFFFAOYSA-N |