ethyl 2-[(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
ethyl 2-[(5-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamamido]benzoate
ethyl 2-[(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: | G755-0344 |
| Compound Name: | ethyl 2-[(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: | 496.57 |
| Molecular Formula: | C22 H20 N6 O4 S2 |
| Smiles: | CCOC(c1ccccc1NC(Nc1nnc(SCC2=CC(N3C=CC=C(C)C3=N2)=O)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1048 |
| logD: | 4.1041 |
| logSw: | -4.2202 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.239 |
| InChI Key: | MQUWFQFCRFIPQJ-UHFFFAOYSA-N |