2-[4-(4-bromophenyl)-3H-1,5-benzodiazepin-2-yl]-5-methylphenol
Chemical Structure Depiction of
2-[4-(4-bromophenyl)-3H-1,5-benzodiazepin-2-yl]-5-methylphenol
2-[4-(4-bromophenyl)-3H-1,5-benzodiazepin-2-yl]-5-methylphenol
Compound characteristics
| Compound ID: | 4019-0033 |
| Compound Name: | 2-[4-(4-bromophenyl)-3H-1,5-benzodiazepin-2-yl]-5-methylphenol |
| Molecular Weight: | 405.29 |
| Molecular Formula: | C22 H17 Br N2 O |
| Smiles: | Cc1ccc(C2CC(c3ccc(cc3)[Br])=Nc3ccccc3N=2)c(c1)O |
| Stereo: | ACHIRAL |
| logP: | 5.9957 |
| logD: | 5.953 |
| logSw: | -5.5235 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.318 |
| InChI Key: | VPNYLTAIYCZNJH-UHFFFAOYSA-N |