3-[2-(2-chlorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
Chemical Structure Depiction of
3-[2-(2-chlorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
3-[2-(2-chlorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 6392-0272 |
| Compound Name: | 3-[2-(2-chlorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile |
| Molecular Weight: | 477.92 |
| Molecular Formula: | C24 H16 Cl N3 O4 S |
| Smiles: | Cc1ccc(cc1)S(C(=C\C1=C(N=C2C=CC=CN2C1=O)Oc1ccccc1[Cl])\C#N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.149 |
| logD: | 4.149 |
| logSw: | -4.4653 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.386 |
| InChI Key: | NMUDFJKMTAXFOZ-UHFFFAOYSA-N |