5-(4-chlorophenyl)-7-(4-ethoxyphenyl)-6-(2-fluorophenyl)-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one
Chemical Structure Depiction of
5-(4-chlorophenyl)-7-(4-ethoxyphenyl)-6-(2-fluorophenyl)-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one
5-(4-chlorophenyl)-7-(4-ethoxyphenyl)-6-(2-fluorophenyl)-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one
Compound characteristics
| Compound ID: | 8017-6953 |
| Compound Name: | 5-(4-chlorophenyl)-7-(4-ethoxyphenyl)-6-(2-fluorophenyl)-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one |
| Molecular Weight: | 475.95 |
| Molecular Formula: | C27 H23 Cl F N3 O2 |
| Smiles: | CCOc1ccc(cc1)N1C(C2=C(C1=O)NCCN=C2c1ccc(cc1)[Cl])c1ccccc1F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4132 |
| logD: | 5.4132 |
| logSw: | -5.9967 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.608 |
| InChI Key: | CAIXLRXOUPEMTL-AREMUKBSSA-N |