2-[(2,3-dimethoxyphenyl)methyl]-1-(4-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
2-[(2,3-dimethoxyphenyl)methyl]-1-(4-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
2-[(2,3-dimethoxyphenyl)methyl]-1-(4-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V005-7545 |
| Compound Name: | 2-[(2,3-dimethoxyphenyl)methyl]-1-(4-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C23 H25 N3 O4 |
| Salt: | not_available |
| Smiles: | COc1cccc(CN2CCCn3cccc3C2c2ccc(cc2)[N+]([O-])=O)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4429 |
| logD: | 4.0788 |
| logSw: | -4.3977 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.671 |
| InChI Key: | HGEYRDUQQCQBDP-JOCHJYFZSA-N |