2,7-dimethyl-3-({4-methyl-5-[(2-phenoxyethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2,7-dimethyl-3-({4-methyl-5-[(2-phenoxyethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
2,7-dimethyl-3-({4-methyl-5-[(2-phenoxyethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | D483-1245 |
| Compound Name: | 2,7-dimethyl-3-({4-methyl-5-[(2-phenoxyethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C22 H23 N5 O2 S |
| Smiles: | CC1C=CC2=NC(C)=C(Cc3nnc(n3C)SCCOc3ccccc3)C(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2998 |
| logD: | 2.2998 |
| logSw: | -2.4218 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.861 |
| InChI Key: | FBTFTSYFTYGSBG-UHFFFAOYSA-N |