6-{[(naphthalen-1-yl)methyl]sulfanyl}-1,2,4-triazine-3,5(2H,4H)-dione
Chemical Structure Depiction of
6-{[(naphthalen-1-yl)methyl]sulfanyl}-1,2,4-triazine-3,5(2H,4H)-dione
6-{[(naphthalen-1-yl)methyl]sulfanyl}-1,2,4-triazine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | 8010-2342 |
| Compound Name: | 6-{[(naphthalen-1-yl)methyl]sulfanyl}-1,2,4-triazine-3,5(2H,4H)-dione |
| Molecular Weight: | 285.32 |
| Molecular Formula: | C14 H11 N3 O2 S |
| Smiles: | C(c1cccc2ccccc12)SC1C(NC(NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3345 |
| logD: | 2.3151 |
| logSw: | -3.0034 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.783 |
| InChI Key: | MIMLRQMWZKBPKI-UHFFFAOYSA-N |