3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-1-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one
Chemical Structure Depiction of
3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-1-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one
3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-1-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | S517-1462 |
| Compound Name: | 3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-1-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C23 H31 N5 O4 S |
| Smiles: | CCn1cnnc1CC1CCN(CC1)C(CCS(c1ccc2c(CCN2C(C)=O)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4307 |
| logD: | 0.4267 |
| logSw: | -2.2252 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 86.871 |
| InChI Key: | LJJZYVAWPSPMNU-UHFFFAOYSA-N |