N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-beta-alaninamide
N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-beta-alaninamide
Compound characteristics
| Compound ID: | E570-2229 |
| Compound Name: | N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-beta-alaninamide |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C22 H25 N3 O6 S |
| Smiles: | CC1Cc2cc(ccc2N1C(C)=O)S(NCCC(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8417 |
| logD: | 1.8416 |
| logSw: | -2.748 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.782 |
| InChI Key: | LGFNEZFITYAMRK-CQSZACIVSA-N |