{4-[(butan-2-yl)amino]-6-chloro-1,3,5-triazin-2-yl}[(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)methyl]cyanamide
Chemical Structure Depiction of
{4-[(butan-2-yl)amino]-6-chloro-1,3,5-triazin-2-yl}[(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)methyl]cyanamide
{4-[(butan-2-yl)amino]-6-chloro-1,3,5-triazin-2-yl}[(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)methyl]cyanamide
Compound characteristics
| Compound ID: | 2858-0412 |
| Compound Name: | {4-[(butan-2-yl)amino]-6-chloro-1,3,5-triazin-2-yl}[(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)methyl]cyanamide |
| Molecular Weight: | 421.86 |
| Molecular Formula: | C16 H16 Cl N7 O3 S |
| Smiles: | CCC(C)Nc1nc(nc(n1)[Cl])N(CN1C(c2ccccc2S1(=O)=O)=O)C#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.798 |
| logD: | 2.798 |
| logSw: | -3.86 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.424 |
| InChI Key: | OMGBOSSCVRHNAO-JTQLQIEISA-N |