8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-10-ethyl-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-10-ethyl-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-10-ethyl-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | C529-1865 |
| Compound Name: | 8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-10-ethyl-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C25 H22 N2 O3 S |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(N1CCc2ccccc2C1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0034 |
| logD: | 3.0034 |
| logSw: | -3.615 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.091 |
| InChI Key: | PHUQVUAHZDHCGB-UHFFFAOYSA-N |