2-[1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-[1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-(2-phenylethyl)acetamide
2-[1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | J024-0120 |
| Compound Name: | 2-[1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C27 H27 N3 O2 S |
| Smiles: | C1CC2=C(C(c3cccs3)N(CC(NCCc3ccccc3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2026 |
| logD: | 4.1889 |
| logSw: | -4.3238 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.912 |
| InChI Key: | KIQJHFGTTDTNON-MHZLTWQESA-N |