1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(3-hydroxypropyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(3-hydroxypropyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(3-hydroxypropyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8016-2820 |
| Compound Name: | 1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(3-hydroxypropyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C21 H22 N4 O2 S |
| Smiles: | C(Cc1nnc(n1c1ccccc1)SCC(N1CCc2ccccc12)=O)CO |
| Stereo: | ACHIRAL |
| logP: | 2.2175 |
| logD: | 2.2175 |
| logSw: | -2.3168 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.039 |
| InChI Key: | MWBOLQIOKZTWBY-UHFFFAOYSA-N |