5-(2-chlorophenyl)-4-(prop-2-en-1-yl)-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(2-chlorophenyl)-4-(prop-2-en-1-yl)-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(2-chlorophenyl)-4-(prop-2-en-1-yl)-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8016-2859 |
| Compound Name: | 5-(2-chlorophenyl)-4-(prop-2-en-1-yl)-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 431.94 |
| Molecular Formula: | C24 H18 Cl N3 O S |
| Smiles: | C=CCN1C(c2ccccc2[Cl])=NN(C2c3ccccc3Oc3ccccc23)C1=S |
| Stereo: | ACHIRAL |
| logP: | 6.3749 |
| logD: | 6.3416 |
| logSw: | -6.357 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 23.0544 |
| InChI Key: | BSGYEPGONQURTC-UHFFFAOYSA-N |