[4-(3-methoxyphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetonitrile
Chemical Structure Depiction of
[4-(3-methoxyphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetonitrile
[4-(3-methoxyphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetonitrile
Compound characteristics
| Compound ID: | P799-0233 |
| Compound Name: | [4-(3-methoxyphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetonitrile |
| Molecular Weight: | 344.35 |
| Molecular Formula: | C15 H12 N4 O4 S |
| Smiles: | COc1cccc(c1)N1C(N(CC#N)S(c2cccnc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1007 |
| logD: | 1.1007 |
| logSw: | -2.3742 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.964 |
| InChI Key: | CGCKJSHBFIRUJB-UHFFFAOYSA-N |