2-[4-(3-bromophenyl)-3H-1,5-benzodiazepin-2-yl]-4-methoxyphenol
Chemical Structure Depiction of
2-[4-(3-bromophenyl)-3H-1,5-benzodiazepin-2-yl]-4-methoxyphenol
2-[4-(3-bromophenyl)-3H-1,5-benzodiazepin-2-yl]-4-methoxyphenol
Compound characteristics
| Compound ID: | 4019-0056 |
| Compound Name: | 2-[4-(3-bromophenyl)-3H-1,5-benzodiazepin-2-yl]-4-methoxyphenol |
| Molecular Weight: | 421.29 |
| Molecular Formula: | C22 H17 Br N2 O2 |
| Smiles: | COc1ccc(c(c1)C1CC(c2cccc(c2)[Br])=Nc2ccccc2N=1)O |
| Stereo: | ACHIRAL |
| logP: | 5.8203 |
| logD: | 5.8023 |
| logSw: | -5.5679 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.862 |
| InChI Key: | JSUCCTCYBFCSNP-UHFFFAOYSA-N |