2-({[2-(2-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Chemical Structure Depiction of
2-({[2-(2-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
2-({[2-(2-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Compound characteristics
| Compound ID: | G199-0510 |
| Compound Name: | 2-({[2-(2-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one |
| Molecular Weight: | 497 |
| Molecular Formula: | C22 H17 Cl N6 O2 S2 |
| Smiles: | C1CCC2=C(C1)N1C(=NC(CSC3=NC(c4ccccc4[Cl])=NC4=CC(NN34)=O)=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 3.1024 |
| logD: | 3.1024 |
| logSw: | -3.7835 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.069 |
| InChI Key: | KXZYDWTZUHTJOG-UHFFFAOYSA-N |