2-{2-[4-(quinolin-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}phthalazin-1(2H)-one
Chemical Structure Depiction of
2-{2-[4-(quinolin-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}phthalazin-1(2H)-one
2-{2-[4-(quinolin-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 8019-5643 |
| Compound Name: | 2-{2-[4-(quinolin-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}phthalazin-1(2H)-one |
| Molecular Weight: | 400.46 |
| Molecular Formula: | C21 H16 N6 O S |
| Smiles: | C(CN1C(c2ccccc2C=N1)=O)c1nnc(n1c1cccc2c1cccn2)S |
| Stereo: | ACHIRAL |
| logP: | 1.7586 |
| logD: | 0.67 |
| logSw: | -2.3746 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.137 |
| InChI Key: | CEGJAFGBLHYBSK-UHFFFAOYSA-N |