N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(2,3-dimethylcyclohexyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(2,3-dimethylcyclohexyl)-beta-alaninamide
N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(2,3-dimethylcyclohexyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E570-2299 |
| Compound Name: | N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(2,3-dimethylcyclohexyl)-beta-alaninamide |
| Molecular Weight: | 435.59 |
| Molecular Formula: | C22 H33 N3 O4 S |
| Smiles: | CC1CCCC(C1C)NC(CCNS(c1ccc2c(CC(C)N2C(C)=O)c1)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4147 |
| logD: | 2.4146 |
| logSw: | -2.9348 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.782 |
| InChI Key: | NTCKEVVPLWFMCB-UHFFFAOYSA-N |