2-[(3-nitrophenyl)methyl]-1-(3-phenoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
2-[(3-nitrophenyl)methyl]-1-(3-phenoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
2-[(3-nitrophenyl)methyl]-1-(3-phenoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V023-3843 |
| Compound Name: | 2-[(3-nitrophenyl)methyl]-1-(3-phenoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C27 H25 N3 O3 |
| Salt: | not_available |
| Smiles: | C1CN(Cc2cccc(c2)[N+]([O-])=O)C(c2cccc(c2)Oc2ccccc2)c2cccn2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0169 |
| logD: | 6.0047 |
| logSw: | -6.0224 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.071 |
| InChI Key: | KPUAHFGENVESET-HHHXNRCGSA-N |