4-methyl-5-(phenoxymethyl)-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-methyl-5-(phenoxymethyl)-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-methyl-5-(phenoxymethyl)-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8010-3536 |
| Compound Name: | 4-methyl-5-(phenoxymethyl)-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C23 H19 N3 O2 S |
| Smiles: | CN1C(COc2ccccc2)=NN(C2c3ccccc3Oc3ccccc23)C1=S |
| Stereo: | ACHIRAL |
| logP: | 4.9098 |
| logD: | 4.8912 |
| logSw: | -4.7052 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.1967 |
| InChI Key: | FWIFXZAPMPMQCM-UHFFFAOYSA-N |