5-(phenoxymethyl)-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-(phenoxymethyl)-4-(prop-2-en-1-yl)-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(phenoxymethyl)-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: | 8016-2851 |
| Compound Name: | 5-(phenoxymethyl)-4-(prop-2-en-1-yl)-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C25 H21 N3 O2 S |
| Smiles: | C=CCN1C(COc2ccccc2)=NN(C2c3ccccc3Oc3ccccc23)C1=S |
| Stereo: | ACHIRAL |
| logP: | 5.6336 |
| logD: | 5.6152 |
| logSw: | -5.9681 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.4094 |
| InChI Key: | OUPXVOWCYFSCQC-UHFFFAOYSA-N |