Oprea1_445851
[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide
Also Known As: Oprea1_445851|[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide|(4-Isopropylamino-6-methoxy-[1,3,5]triazin-2-yl)-(1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiaz ol-2-ylmethyl)-cyanamide|[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)methyl][4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyanamide|N-((1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-N-(4-(isopropylamino)-6-methoxy-1,3,5-triazin-2-yl)cyanamide
| Molecular Formula | C16H17N7O4S |
|---|---|
| Molecular Weight | 403.10626 g/mol |
| LogP | 0.79018 |
| Topological Polar Surface Area | 141.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.10626 |
| Monoisotopic Mass | 403.10626 |
| Heavy Atoms | 28 |
| Complexity | 1064.9027 |
Chemical Identifiers
| CAS Number | 370076-87-2 |
|---|---|
| SMILES | CC(C)NC1=NC(=NC(=N1)OC)N(CN2C(=O)C3=CC=CC=C3S2(=O)=O)C#N |
Product Overview
Oprea1_445851 (CAS 370076-87-2), with molecular formula C16H17N7O4S and molecular weight 403.10626 g/mol. IUPAC: [4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide.