ethyl [(1-{4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(1-{4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
ethyl [(1-{4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D385-0155 |
| Compound Name: | ethyl [(1-{4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetate |
| Molecular Weight: | 366.44 |
| Molecular Formula: | C14 H22 N8 O2 S |
| Smiles: | CCNc1nc(NC(C)C)nc(n1)n1cnc(n1)SCC(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 2.9391 |
| logD: | 2.9376 |
| logSw: | -3.255 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.733 |
| InChI Key: | DMBRNGRGHSOBHH-UHFFFAOYSA-N |