2-methoxy-4-nitro-6-({1-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl}methyl)phenol
Chemical Structure Depiction of
2-methoxy-4-nitro-6-({1-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl}methyl)phenol
2-methoxy-4-nitro-6-({1-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl}methyl)phenol
Compound characteristics
| Compound ID: | V029-1079 |
| Compound Name: | 2-methoxy-4-nitro-6-({1-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl}methyl)phenol |
| Molecular Weight: | 461.44 |
| Molecular Formula: | C23 H22 F3 N3 O4 |
| Salt: | not_available |
| Smiles: | COc1cc(cc(CN2CCCn3cccc3C2c2ccc(cc2)C(F)(F)F)c1O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.749 |
| logD: | 4.3736 |
| logSw: | -4.4422 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.433 |
| InChI Key: | NKTSASJPVPZTIB-OAQYLSRUSA-N |