methyl 4-[(5-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamamido]benzoate
Chemical Structure Depiction of
methyl 4-[(5-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamamido]benzoate
methyl 4-[(5-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamamido]benzoate
Compound characteristics
| Compound ID: | G755-0353 |
| Compound Name: | methyl 4-[(5-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamamido]benzoate |
| Molecular Weight: | 482.54 |
| Molecular Formula: | C21 H18 N6 O4 S2 |
| Smiles: | CC1=CC=CN2C1=NC(CSc1nnc(NC(Nc3ccc(cc3)C(=O)OC)=O)s1)=CC2=O |
| Stereo: | ACHIRAL |
| logP: | 3.9264 |
| logD: | 3.9262 |
| logSw: | -4.1847 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.357 |
| InChI Key: | OACMJWDESUILSV-UHFFFAOYSA-N |