[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-(3-chlorobenzamido)benzoate
Chemical Structure Depiction of
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-(3-chlorobenzamido)benzoate
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-(3-chlorobenzamido)benzoate
Compound characteristics
| Compound ID: | G357-0888 |
| Compound Name: | [2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-(3-chlorobenzamido)benzoate |
| Molecular Weight: | 496.97 |
| Molecular Formula: | C24 H21 Cl N4 O4 S |
| Smiles: | CC(C)CC1=NN2C(=NC(COC(c3cccc(c3)NC(c3cccc(c3)[Cl])=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.4208 |
| logD: | 5.4163 |
| logSw: | -5.9428 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.395 |
| InChI Key: | AVMUSQZWOMJIMA-UHFFFAOYSA-N |