2-[11-(furan-2-yl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-[(thiophen-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[11-(furan-2-yl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-[(thiophen-2-yl)methyl]acetamide
2-[11-(furan-2-yl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-[(thiophen-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | J024-0049 |
| Compound Name: | 2-[11-(furan-2-yl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-[(thiophen-2-yl)methyl]acetamide |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C26 H27 N3 O3 S |
| Smiles: | CC1(C)CC2=C(C(c3ccco3)N(CC(NCc3cccs3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5851 |
| logD: | 4.5521 |
| logSw: | -4.3335 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.648 |
| InChI Key: | QWRVIUXSOFZEJQ-VWLOTQADSA-N |