methyl 4-[(5-{[(8-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-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamamido]benzoate
methyl 4-[(5-{[(8-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: | G755-0453 |
| Compound Name: | methyl 4-[(5-{[(8-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: | CC1C=CN2C(C=1)=NC(CSc1nnc(NC(Nc3ccc(cc3)C(=O)OC)=O)s1)=CC2=O |
| Stereo: | ACHIRAL |
| logP: | 3.8745 |
| logD: | 3.8743 |
| logSw: | -4.1675 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.336 |
| InChI Key: | CYDOCEWKWYMNIW-UHFFFAOYSA-N |