3-{[4-(3-methoxyphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[4-(3-methoxyphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl}benzonitrile
3-{[4-(3-methoxyphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | P799-0263 |
| Compound Name: | 3-{[4-(3-methoxyphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl}benzonitrile |
| Molecular Weight: | 420.45 |
| Molecular Formula: | C21 H16 N4 O4 S |
| Smiles: | COc1cccc(c1)N1C(N(Cc2cccc(C#N)c2)S(c2cccnc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6461 |
| logD: | 2.6461 |
| logSw: | -2.9446 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.279 |
| InChI Key: | YWRWVIZPYCJWIT-UHFFFAOYSA-N |