N-tert-butyl-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-tert-butyl-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
N-tert-butyl-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
Compound characteristics
Compound ID: | C464-1295 |
Compound Name: | N-tert-butyl-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide |
Molecular Weight: | 381.49 |
Molecular Formula: | C18 H27 N3 O4 S |
Smiles: | CCC(N1CCc2cc(ccc12)S(NCCC(NC(C)(C)C)=O)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.9193 |
logD: | 1.9192 |
logSw: | -2.8253 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 80.828 |
InChI Key: | BSNDJWWTEUXDNI-UHFFFAOYSA-N |