1-[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]-3-[(1,3-benzothiazol-2-yl)sulfanyl]propan-2-one
Chemical Structure Depiction of
1-[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]-3-[(1,3-benzothiazol-2-yl)sulfanyl]propan-2-one
1-[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]-3-[(1,3-benzothiazol-2-yl)sulfanyl]propan-2-one
Compound characteristics
| Compound ID: | 5750-2728 |
| Compound Name: | 1-[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]-3-[(1,3-benzothiazol-2-yl)sulfanyl]propan-2-one |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C20 H18 N6 O S2 |
| Smiles: | Cc1ccc(cc1)Nc1nc(CC(CSc2nc3ccccc3s2)=O)nc(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.8682 |
| logD: | 4.8682 |
| logSw: | -4.7322 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.173 |
| InChI Key: | UJVDAWDYTHLCAA-UHFFFAOYSA-N |