4-tert-butyl-N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
4-tert-butyl-N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
4-tert-butyl-N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | G755-0700 |
| Compound Name: | 4-tert-butyl-N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 486.01 |
| Molecular Formula: | C22 H20 Cl N5 O2 S2 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1nnc(SCC2=CC(N3C=C(C=CC3=N2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9735 |
| logD: | 4.9173 |
| logSw: | -5.0728 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.469 |
| InChI Key: | XEWXYIFEMZGYNM-UHFFFAOYSA-N |