methyl 4-[4-(4-methylphenyl)-2-sulfanylidene-3,6-dihydro-1,3,5-triazin-1(2H)-yl]benzoate
Chemical Structure Depiction of
methyl 4-[4-(4-methylphenyl)-2-sulfanylidene-3,6-dihydro-1,3,5-triazin-1(2H)-yl]benzoate
methyl 4-[4-(4-methylphenyl)-2-sulfanylidene-3,6-dihydro-1,3,5-triazin-1(2H)-yl]benzoate
Compound characteristics
| Compound ID: | 4550-0892 |
| Compound Name: | methyl 4-[4-(4-methylphenyl)-2-sulfanylidene-3,6-dihydro-1,3,5-triazin-1(2H)-yl]benzoate |
| Molecular Weight: | 339.41 |
| Molecular Formula: | C18 H17 N3 O2 S |
| Smiles: | Cc1ccc(cc1)C1NC(N(CN=1)c1ccc(cc1)C(=O)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 4.5108 |
| logD: | -1.0551 |
| logSw: | -4.1962 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.701 |
| InChI Key: | YWSYKQISDXTCKB-UHFFFAOYSA-N |