2-{[1-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}-6-methoxyphenol
Chemical Structure Depiction of
2-{[1-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}-6-methoxyphenol
2-{[1-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}-6-methoxyphenol
Compound characteristics
| Compound ID: | V015-4419 |
| Compound Name: | 2-{[1-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}-6-methoxyphenol |
| Molecular Weight: | 417.33 |
| Molecular Formula: | C22 H22 Cl2 N2 O2 |
| Smiles: | COc1cccc(CN2CCCn3cccc3C2c2ccc(c(c2)[Cl])[Cl])c1O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.862 |
| logD: | 5.8161 |
| logSw: | -5.7437 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.0514 |
| InChI Key: | FOFUDJHOZXCVHY-OAQYLSRUSA-N |