10-benzyl-N-[2-(1H-indol-3-yl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-benzyl-N-[2-(1H-indol-3-yl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-benzyl-N-[2-(1H-indol-3-yl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
Compound ID: | C530-1928 |
Compound Name: | 10-benzyl-N-[2-(1H-indol-3-yl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
Molecular Weight: | 535.62 |
Molecular Formula: | C31 H25 N3 O4 S |
Smiles: | C(CNC(c1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2(=O)=O)=O)=O)c1c[nH]c2ccccc12 |
Stereo: | ACHIRAL |
logP: | 4.5195 |
logD: | 4.5195 |
logSw: | -4.3847 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 78.507 |
InChI Key: | OTSSPKLIUQBKFS-UHFFFAOYSA-N |