2-[3,3-dimethyl-1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[3,3-dimethyl-1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-[(oxolan-2-yl)methyl]acetamide
2-[3,3-dimethyl-1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | J024-0072 |
| Compound Name: | 2-[3,3-dimethyl-1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 465.61 |
| Molecular Formula: | C26 H31 N3 O3 S |
| Smiles: | CC1(C)CC2=C(C(c3cccs3)N(CC(NCC3CCCO3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4889 |
| logD: | 3.4559 |
| logSw: | -3.8472 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.724 |
| InChI Key: | NUFFTVBPQZOHBP-UHFFFAOYSA-N |