N-[(4-fluorophenyl)methyl]-N~3~-(1,3,3-trimethyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-N~3~-(1,3,3-trimethyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
N-[(4-fluorophenyl)methyl]-N~3~-(1,3,3-trimethyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
Compound characteristics
Compound ID: | E557-2940 |
Compound Name: | N-[(4-fluorophenyl)methyl]-N~3~-(1,3,3-trimethyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide |
Molecular Weight: | 433.5 |
Molecular Formula: | C21 H24 F N3 O4 S |
Smiles: | CC1(C)C(N(C)c2ccc(cc12)S(NCCC(NCc1ccc(cc1)F)=O)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.1792 |
logD: | 2.1791 |
logSw: | -3.0354 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 81.816 |
InChI Key: | RXHCBNILJPSVQL-UHFFFAOYSA-N |