4-[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-methyl-4-oxobutanamide
Chemical Structure Depiction of
4-[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-methyl-4-oxobutanamide
4-[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-methyl-4-oxobutanamide
Compound characteristics
| Compound ID: | J024-0571 |
| Compound Name: | 4-[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-methyl-4-oxobutanamide |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Smiles: | CC1(C)CC2=C(C(c3cccs3)N(C(CCC(NC)=O)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5332 |
| logD: | 2.1955 |
| logSw: | -2.8136 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.549 |
| InChI Key: | DJIXNJKHVKKZFM-QHCPKHFHSA-N |