2-({4-methyl-5-[(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide
Chemical Structure Depiction of
2-({4-methyl-5-[(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide
2-({4-methyl-5-[(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide
Compound characteristics
| Compound ID: | D483-1709 |
| Compound Name: | 2-({4-methyl-5-[(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C21 H20 N6 O2 S |
| Smiles: | CC1=C(Cc2nnc(n2C)SCC(Nc2ccccc2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3551 |
| logD: | 1.3551 |
| logSw: | -2.0903 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.074 |
| InChI Key: | HXNSIMFSJMBENQ-UHFFFAOYSA-N |