N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
Compound ID: | Y042-6735 |
Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
Molecular Weight: | 450.56 |
Molecular Formula: | C24 H26 N4 O3 S |
Smiles: | COCCN1C=C(C(N[C@@H](CCSC)c2nc3ccccc3[nH]2)=O)c2ccccc2C1=O |
Stereo: | ABSOLUTE |
logP: | 2.5296 |
logD: | 2.5289 |
logSw: | -2.9081 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 68.127 |
InChI Key: | BTJCGXGMSCEUPK-NRFANRHFSA-N |