6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-N~2~-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-N~2~-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-N~2~-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | 5750-2693 |
| Compound Name: | 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-N~2~-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C18 H16 N6 O S2 |
| Smiles: | COc1ccc(cc1)Nc1nc(CSc2nc3ccccc3s2)nc(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.7918 |
| logD: | 4.7915 |
| logSw: | -4.7308 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.962 |
| InChI Key: | RTJFVTYUGFDUTB-UHFFFAOYSA-N |