4-chloro-2-{[1-(4-ethylphenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}phenol
Chemical Structure Depiction of
4-chloro-2-{[1-(4-ethylphenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}phenol
4-chloro-2-{[1-(4-ethylphenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}phenol
Compound characteristics
| Compound ID: | V012-0068 |
| Compound Name: | 4-chloro-2-{[1-(4-ethylphenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}phenol |
| Molecular Weight: | 380.92 |
| Molecular Formula: | C23 H25 Cl N2 O |
| Smiles: | CCc1ccc(cc1)C1c2cccn2CCCN1Cc1cc(ccc1O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.683 |
| logD: | 5.6617 |
| logSw: | -5.9652 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.4899 |
| InChI Key: | MKYONUCYGXKGDV-HSZRJFAPSA-N |