N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide
N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | C592-3453 |
| Compound Name: | N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide |
| Molecular Weight: | 475.59 |
| Molecular Formula: | C24 H21 N5 O2 S2 |
| Smiles: | C1CN(C(CSc2nnc(CNC(c3cccs3)=O)n2c2ccccc2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.4062 |
| logD: | 3.4062 |
| logSw: | -3.6604 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.815 |
| InChI Key: | DJFUEXWLRUOKAB-UHFFFAOYSA-N |