2-{[1-(4-chlorophenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}-4-methylphenol
Chemical Structure Depiction of
2-{[1-(4-chlorophenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}-4-methylphenol
2-{[1-(4-chlorophenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}-4-methylphenol
Compound characteristics
| Compound ID: | V012-0056 |
| Compound Name: | 2-{[1-(4-chlorophenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}-4-methylphenol |
| Molecular Weight: | 366.89 |
| Molecular Formula: | C22 H23 Cl N2 O |
| Smiles: | Cc1ccc(c(CN2CCCn3cccc3C2c2ccc(cc2)[Cl])c1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0934 |
| logD: | 5.0852 |
| logSw: | -5.2894 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.4899 |
| InChI Key: | BXVPCZBSMXKSPA-JOCHJYFZSA-N |