3-chloro-N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzamide
Chemical Structure Depiction of
3-chloro-N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzamide
3-chloro-N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzamide
Compound characteristics
| Compound ID: | G072-1187 |
| Compound Name: | 3-chloro-N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzamide |
| Molecular Weight: | 485.03 |
| Molecular Formula: | C23 H21 Cl N4 O2 S2 |
| Smiles: | CC(C)CC1=NN2C(=NC(CSc3ccccc3NC(c3cccc(c3)[Cl])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.3921 |
| logD: | 5.3899 |
| logSw: | -5.8608 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.568 |
| InChI Key: | BJLQUISEWZTDTC-UHFFFAOYSA-N |