3-{[4-(3-methylphenyl)-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-methylphenyl)-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-methylphenyl)-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: | P799-0078 |
| Compound Name: | 3-{[4-(3-methylphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl}benzonitrile |
| Molecular Weight: | 404.45 |
| Molecular Formula: | C21 H16 N4 O3 S |
| Smiles: | Cc1cccc(c1)N1C(N(Cc2cccc(C#N)c2)S(c2cccnc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9806 |
| logD: | 2.9806 |
| logSw: | -3.2275 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.735 |
| InChI Key: | OHIFIFBAEWSJRK-UHFFFAOYSA-N |