2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate
Chemical Structure Depiction of
2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate
2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate
Compound characteristics
| Compound ID: | 2994-5762 |
| Compound Name: | 2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate |
| Molecular Weight: | 347.44 |
| Molecular Formula: | C16 H21 N5 O2 S |
| Smiles: | CN(C)c1nc(nc(n1)SCCOC(c1ccccc1)=O)N(C)C |
| Stereo: | ACHIRAL |
| logP: | 3.8167 |
| logD: | 3.8167 |
| logSw: | -3.9321 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.066 |
| InChI Key: | UHCGLPIIAIQGKU-UHFFFAOYSA-N |