1-(3,5-dimethoxyphenyl)-2-[(3-phenoxyphenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
1-(3,5-dimethoxyphenyl)-2-[(3-phenoxyphenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
1-(3,5-dimethoxyphenyl)-2-[(3-phenoxyphenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V002-1253 |
| Compound Name: | 1-(3,5-dimethoxyphenyl)-2-[(3-phenoxyphenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C29 H30 N2 O3 |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1)OC)C1c2cccn2CCCN1Cc1cccc(c1)Oc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1344 |
| logD: | 3.911 |
| logSw: | -5.6093 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.7771 |
| InChI Key: | CNEINZRAQNPFAQ-GDLZYMKVSA-N |