N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~3~-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~3~-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~3~-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
Compound characteristics
| Compound ID: | E570-2497 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~3~-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C24 H27 N3 O6 S |
| Smiles: | CC1Cc2cc(ccc2N1C(C1CC1)=O)S(NCCC(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5782 |
| logD: | 2.5781 |
| logSw: | -3.1619 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.566 |
| InChI Key: | USDMACIWTZIKPI-HNNXBMFYSA-N |