2-[8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]-N-(2,3-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-[8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]-N-(2,3-dimethylphenyl)acetamide
2-[8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]-N-(2,3-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | K788-6692 |
| Compound Name: | 2-[8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]-N-(2,3-dimethylphenyl)acetamide |
| Molecular Weight: | 547.68 |
| Molecular Formula: | C33 H29 N3 O3 S |
| Smiles: | Cc1cccc(c1C)NC(CN1C(c2ccccc2Sc2ccc(cc12)C(N1CCc2ccccc2C1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.081 |
| logD: | 6.081 |
| logSw: | -5.4134 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.162 |
| InChI Key: | LRWCUQZTPZBBPL-UHFFFAOYSA-N |