N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(3,4-difluorophenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(3,4-difluorophenyl)-beta-alaninamide
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(3,4-difluorophenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C450-0937 |
| Compound Name: | N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(3,4-difluorophenyl)-beta-alaninamide |
| Molecular Weight: | 423.44 |
| Molecular Formula: | C19 H19 F2 N3 O4 S |
| Smiles: | CC(N1CCc2cc(ccc12)S(NCCC(Nc1ccc(c(c1)F)F)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2318 |
| logD: | 2.1714 |
| logSw: | -2.9486 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.406 |
| InChI Key: | NTAPDDHJVGSAEG-UHFFFAOYSA-N |