10-(cyclopropanecarbonyl)-11-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-(cyclopropanecarbonyl)-11-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-(cyclopropanecarbonyl)-11-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 4780-0083 |
| Compound Name: | 10-(cyclopropanecarbonyl)-11-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 482.55 |
| Molecular Formula: | C30 H27 F N2 O3 |
| Smiles: | COc1ccc(cc1)C1CC2=C(C(c3ccc(cc3)F)N(C(C3CC3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9648 |
| logD: | 5.6449 |
| logSw: | -5.6016 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.96 |
| InChI Key: | KRFZFSDNGSZDHG-UHFFFAOYSA-N |