3-(4-tert-butylphenyl)-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)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-tert-butylphenyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8014-6691 |
| Compound Name: | 3-(4-tert-butylphenyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 428.6 |
| Molecular Formula: | C27 H28 N2 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1CC2=C(C(c3cccs3)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7943 |
| logD: | 6.7672 |
| logSw: | -5.7557 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 37.495 |
| InChI Key: | MJCMKTPAJJWGSN-UHFFFAOYSA-N |