N-butyl-2-{6-[1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetamide
Chemical Structure Depiction of
N-butyl-2-{6-[1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetamide
N-butyl-2-{6-[1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetamide
Compound characteristics
| Compound ID: | V003-8181 |
| Compound Name: | N-butyl-2-{6-[1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetamide |
| Molecular Weight: | 504.44 |
| Molecular Formula: | C23 H23 Cl2 N5 O2 S |
| Smiles: | CCCCNC(CC1=CSC2=NC(C)=C(C(N12)=O)c1cc(C)n(c2ccc(c(c2)[Cl])[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3267 |
| logD: | 4.3267 |
| logSw: | -4.4053 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.237 |
| InChI Key: | UPFTWGONRPVKSL-UHFFFAOYSA-N |