S-[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl] 10H-phenothiazine-10-carbothioate
Chemical Structure Depiction of
S-[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl] 10H-phenothiazine-10-carbothioate
S-[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl] 10H-phenothiazine-10-carbothioate
Compound characteristics
| Compound ID: | 5594-2801 |
| Compound Name: | S-[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl] 10H-phenothiazine-10-carbothioate |
| Molecular Weight: | 456.59 |
| Molecular Formula: | C25 H20 N4 O S2 |
| Smiles: | Cc1ccc(cc1)c1nnc(n1CC=C)SC(N1c2ccccc2Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7398 |
| logD: | 6.7398 |
| logSw: | -5.7536 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.527 |
| InChI Key: | PACFOQNTNVTNPA-UHFFFAOYSA-N |