N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[2-(3-methylthiophen-2-yl)ethyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[2-(3-methylthiophen-2-yl)ethyl]-beta-alaninamide
N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[2-(3-methylthiophen-2-yl)ethyl]-beta-alaninamide
Compound characteristics
| Compound ID: | E570-2411 |
| Compound Name: | N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[2-(3-methylthiophen-2-yl)ethyl]-beta-alaninamide |
| Molecular Weight: | 449.59 |
| Molecular Formula: | C21 H27 N3 O4 S2 |
| Smiles: | CC1Cc2cc(ccc2N1C(C)=O)S(NCCC(NCCc1c(C)ccs1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1259 |
| logD: | 2.1259 |
| logSw: | -2.8732 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.527 |
| InChI Key: | RGJGGRFIQURMSD-OAHLLOKOSA-N |