N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[(4-fluorophenyl)methyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[(4-fluorophenyl)methyl]-beta-alaninamide
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[(4-fluorophenyl)methyl]-beta-alaninamide
Compound characteristics
Compound ID: | C450-0899 |
Compound Name: | N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[(4-fluorophenyl)methyl]-beta-alaninamide |
Molecular Weight: | 419.47 |
Molecular Formula: | C20 H22 F N3 O4 S |
Smiles: | CC(N1CCc2cc(ccc12)S(NCCC(NCc1ccc(cc1)F)=O)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.6045 |
logD: | 1.6044 |
logSw: | -2.6183 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 82.728 |
InChI Key: | PNXKJRXVQVRIEM-UHFFFAOYSA-N |