6-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-N~2~-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
6-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-N~2~-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
6-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-N~2~-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | Y020-2010 |
| Compound Name: | 6-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-N~2~-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 380.43 |
| Molecular Formula: | C18 H16 N6 O2 S |
| Smiles: | COc1cccc(c1)Nc1nc(CSc2nc3ccccc3o2)nc(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.3418 |
| logD: | 4.3417 |
| logSw: | -4.5356 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.544 |
| InChI Key: | NQSQYAJSUWSBMG-UHFFFAOYSA-N |