2-{[1-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}-4-methylphenol
Chemical Structure Depiction of
2-{[1-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}-4-methylphenol
2-{[1-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}-4-methylphenol
Compound characteristics
| Compound ID: | V021-5073 |
| Compound Name: | 2-{[1-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}-4-methylphenol |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C24 H28 N2 O3 |
| Smiles: | Cc1ccc(c(CN2CCCn3cccc3C2c2cccc(c2OC)OC)c1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3653 |
| logD: | 3.8894 |
| logSw: | -4.0401 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.837 |
| InChI Key: | IXFCZQVPKJBRJD-HSZRJFAPSA-N |