3-(4-tert-butylphenyl)-10-hexanoyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(4-tert-butylphenyl)-10-hexanoyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-tert-butylphenyl)-10-hexanoyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8012-4682 |
| Compound Name: | 3-(4-tert-butylphenyl)-10-hexanoyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 526.74 |
| Molecular Formula: | C33 H38 N2 O2 S |
| Smiles: | CCCCCC(N1C(C2=C(CC(CC2=O)c2ccc(cc2)C(C)(C)C)Nc2ccccc12)c1cccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.6524 |
| logD: | 8.1999 |
| logSw: | -5.712 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.656 |
| InChI Key: | KOSGRGSZYAPMSN-UHFFFAOYSA-N |