2-[(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 4-chloro-1-methyl-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
2-[(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 4-chloro-1-methyl-1H-pyrazole-3-carboxylate
2-[(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 4-chloro-1-methyl-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y508-7085 |
| Compound Name: | 2-[(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 4-chloro-1-methyl-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 396.85 |
| Molecular Formula: | C16 H17 Cl N4 O4 S |
| Smiles: | CC1(C)CC(c2c(C1)nc(NC(COC(c1c(cn(C)n1)[Cl])=O)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9635 |
| logD: | 1.8279 |
| logSw: | -2.8828 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.317 |
| InChI Key: | YLNRGXKTRHJZDY-UHFFFAOYSA-N |