3-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,7-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,7-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,7-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | D483-1216 |
| Compound Name: | 3-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,7-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 460.56 |
| Molecular Formula: | C24 H24 N6 O2 S |
| Smiles: | CC1C=CC2=NC(C)=C(Cc3nnc(n3C)SCC(N3CCc4ccccc34)=O)C(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9501 |
| logD: | 1.9501 |
| logSw: | -2.1709 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.867 |
| InChI Key: | WLLFUOFAIQUXKM-UHFFFAOYSA-N |