8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-10-[(2,5-dimethylphenyl)methyl]-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-[(2,5-dimethylphenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-10-[(2,5-dimethylphenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | C529-0941 |
| Compound Name: | 8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-10-[(2,5-dimethylphenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 520.65 |
| Molecular Formula: | C32 H28 N2 O3 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(N2CCc3ccccc3C2)=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.3515 |
| logD: | 5.3515 |
| logSw: | -5.2287 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.095 |
| InChI Key: | QFQCFNKOPAGNLD-UHFFFAOYSA-N |