2-[(3-chloro-4-fluorophenyl)methyl]-1-(3-phenoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
2-[(3-chloro-4-fluorophenyl)methyl]-1-(3-phenoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
2-[(3-chloro-4-fluorophenyl)methyl]-1-(3-phenoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V031-2731 |
| Compound Name: | 2-[(3-chloro-4-fluorophenyl)methyl]-1-(3-phenoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 446.95 |
| Molecular Formula: | C27 H24 Cl F N2 O |
| Salt: | not_available |
| Smiles: | C1CN(Cc2ccc(c(c2)[Cl])F)C(c2cccc(c2)Oc2ccccc2)c2cccn2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7277 |
| logD: | 6.7122 |
| logSw: | -6.7556 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 12.6896 |
| InChI Key: | UWBBJYGAWQQPKN-HHHXNRCGSA-N |