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]-4-oxo-N-propylbutanamide
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]-4-oxo-N-propylbutanamide
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]-4-oxo-N-propylbutanamide
Compound characteristics
| Compound ID: | J024-0570 |
| 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]-4-oxo-N-propylbutanamide |
| Molecular Weight: | 465.61 |
| Molecular Formula: | C26 H31 N3 O3 S |
| Smiles: | CCCNC(CCC(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3704 |
| logD: | 3.0327 |
| logSw: | -3.6934 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.24 |
| InChI Key: | UWDSLDDYBIGQNR-VWLOTQADSA-N |