10-benzyl-8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
10-benzyl-8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
10-benzyl-8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | C529-1469 |
| Compound Name: | 10-benzyl-8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C30 H24 N2 O3 S |
| Smiles: | C1CN(Cc2ccccc12)C(c1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3055 |
| logD: | 4.3055 |
| logSw: | -4.4041 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.095 |
| InChI Key: | VGLACSAJQZCUGG-UHFFFAOYSA-N |