N-[(5-{[2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide
Chemical Structure Depiction of
N-[(5-{[2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide
N-[(5-{[2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide
Compound characteristics
| Compound ID: | D532-0268 |
| Compound Name: | N-[(5-{[2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide |
| Molecular Weight: | 501.6 |
| Molecular Formula: | C23 H24 F N5 O3 S2 |
| Smiles: | Cc1c(C(CSc2nnc(CN(c3ccc(cc3)F)S(C)(=O)=O)n2C)=O)c2ccccc2n1C |
| Stereo: | ACHIRAL |
| logP: | 2.4783 |
| logD: | 2.4783 |
| logSw: | -2.7058 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.145 |
| InChI Key: | KLASYSXBLPPSPH-UHFFFAOYSA-N |