1-(4-methoxyphenyl)-2-[(3-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
1-(4-methoxyphenyl)-2-[(3-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
1-(4-methoxyphenyl)-2-[(3-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V023-3977 |
| Compound Name: | 1-(4-methoxyphenyl)-2-[(3-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C22 H23 N3 O3 |
| Smiles: | COc1ccc(cc1)C1c2cccn2CCCN1Cc1cccc(c1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3564 |
| logD: | 4.3544 |
| logSw: | -4.3587 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.867 |
| InChI Key: | IERFYPBGNXFFRD-JOCHJYFZSA-N |