2,9-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
2,9-dimethyl-3-({4-methyl-5-[(2-phenoxyethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
2,9-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: | D483-1571 |
| Compound Name: | 2,9-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: | CC1=CC=CN2C1=NC(C)=C(Cc1nnc(n1C)SCCOc1ccccc1)C2=O |
| Stereo: | ACHIRAL |
| logP: | 2.2867 |
| logD: | 2.2867 |
| logSw: | -2.4298 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.363 |
| InChI Key: | WNTSHIVSEPICFW-UHFFFAOYSA-N |