N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-beta-alaninamide
N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-beta-alaninamide
Compound characteristics
| Compound ID: | E570-2158 |
| Compound Name: | N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-beta-alaninamide |
| Molecular Weight: | 433.57 |
| Molecular Formula: | C22 H31 N3 O4 S |
| Smiles: | CC1Cc2cc(ccc2N1C(C)=O)S(NCCC(NCCC1CCCCC=1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0738 |
| logD: | 2.0737 |
| logSw: | -2.8562 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.7 |
| InChI Key: | WJTHUAAOSZCJGJ-MRXNPFEDSA-N |