1-(4-fluorophenyl)-2-[(2-methoxy-5-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
1-(4-fluorophenyl)-2-[(2-methoxy-5-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
1-(4-fluorophenyl)-2-[(2-methoxy-5-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V002-0620 |
| Compound Name: | 1-(4-fluorophenyl)-2-[(2-methoxy-5-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 395.43 |
| Molecular Formula: | C22 H22 F N3 O3 |
| Smiles: | COc1ccc(cc1CN1CCCn2cccc2C1c1ccc(cc1)F)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4205 |
| logD: | 4.419 |
| logSw: | -4.3611 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.954 |
| InChI Key: | HRTWLABASAYJCN-JOCHJYFZSA-N |