1-[4-amino-6-(5-chloro-2-methoxyanilino)-1,3,5-triazin-2-yl]-3-[(1,3-benzothiazol-2-yl)sulfanyl]propan-2-one
Chemical Structure Depiction of
1-[4-amino-6-(5-chloro-2-methoxyanilino)-1,3,5-triazin-2-yl]-3-[(1,3-benzothiazol-2-yl)sulfanyl]propan-2-one
1-[4-amino-6-(5-chloro-2-methoxyanilino)-1,3,5-triazin-2-yl]-3-[(1,3-benzothiazol-2-yl)sulfanyl]propan-2-one
Compound characteristics
| Compound ID: | 5750-2729 |
| Compound Name: | 1-[4-amino-6-(5-chloro-2-methoxyanilino)-1,3,5-triazin-2-yl]-3-[(1,3-benzothiazol-2-yl)sulfanyl]propan-2-one |
| Molecular Weight: | 472.97 |
| Molecular Formula: | C20 H17 Cl N6 O2 S2 |
| Smiles: | COc1ccc(cc1Nc1nc(CC(CSc2nc3ccccc3s2)=O)nc(N)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.9277 |
| logD: | 4.9276 |
| logSw: | -4.9141 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.106 |
| InChI Key: | XNBNFUBVGPWWHZ-UHFFFAOYSA-N |