5-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-7-(4-ethoxyphenyl)-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one
Chemical Structure Depiction of
5-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-7-(4-ethoxyphenyl)-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one
5-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-7-(4-ethoxyphenyl)-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one
Compound characteristics
| Compound ID: | 8018-0063 |
| Compound Name: | 5-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-7-(4-ethoxyphenyl)-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one |
| Molecular Weight: | 518.01 |
| Molecular Formula: | C29 H28 Cl N3 O4 |
| Smiles: | CCOc1ccc(cc1)N1C(C2=C(C1=O)NCCN=C2c1ccc(cc1)[Cl])c1ccc(c(c1)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8892 |
| logD: | 4.8892 |
| logSw: | -5.1481 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.869 |
| InChI Key: | JPYHJSIOXZNVNY-MUUNZHRXSA-N |