5-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-phenyl-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one
Chemical Structure Depiction of
5-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-phenyl-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one
5-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-phenyl-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one
Compound characteristics
| Compound ID: | Y010-0675 |
| Compound Name: | 5-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-phenyl-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C27 H24 F N3 O2 |
| Smiles: | CCOc1ccc(cc1)C1C2C(c3ccc(cc3)F)N(C(C=2NCCN=1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5394 |
| logD: | 4.5394 |
| logSw: | -4.1132 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.608 |
| InChI Key: | SBUSQIQHGTYYMO-AREMUKBSSA-N |