8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-10-ethyl-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-10-ethyl-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-10-ethyl-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | C530-0281 |
| Compound Name: | 8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-10-ethyl-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C25 H22 N2 O4 S |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(N1CCc2ccccc2C1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.133 |
| logD: | 3.133 |
| logSw: | -3.6076 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.687 |
| InChI Key: | LRIMJOOHNIRTAN-UHFFFAOYSA-N |