6-{[(3-phenoxyphenyl)methyl]sulfanyl}-5-sulfanylidene-4,5-dihydro-1,2,4-triazin-3(2H)-one
Chemical Structure Depiction of
6-{[(3-phenoxyphenyl)methyl]sulfanyl}-5-sulfanylidene-4,5-dihydro-1,2,4-triazin-3(2H)-one
6-{[(3-phenoxyphenyl)methyl]sulfanyl}-5-sulfanylidene-4,5-dihydro-1,2,4-triazin-3(2H)-one
Compound characteristics
| Compound ID: | 8010-2340 |
| Compound Name: | 6-{[(3-phenoxyphenyl)methyl]sulfanyl}-5-sulfanylidene-4,5-dihydro-1,2,4-triazin-3(2H)-one |
| Molecular Weight: | 343.42 |
| Molecular Formula: | C16 H13 N3 O2 S2 |
| Smiles: | C(c1cccc(c1)Oc1ccccc1)SC1C(NC(NN=1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.6666 |
| logD: | 3.6653 |
| logSw: | -4.106 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.72 |
| InChI Key: | BFQPTGRBCMFXOK-UHFFFAOYSA-N |