3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-1-{3-[(4-phenyl-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-{3-[(4-phenyl-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-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | T501-1488 |
| Compound Name: | 3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-1-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one |
| Molecular Weight: | 521.64 |
| Molecular Formula: | C27 H31 N5 O4 S |
| Smiles: | CC(N1CCc2cc(ccc12)S(CCC(N1CCCC(Cc2nncn2c2ccccc2)C1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5889 |
| logD: | 1.5889 |
| logSw: | -2.5348 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.267 |
| InChI Key: | KDEDLSZTYSUCPZ-OAQYLSRUSA-N |