3-{[4-(4-methylphenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[4-(4-methylphenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl}benzonitrile
3-{[4-(4-methylphenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | P585-2136 |
| Compound Name: | 3-{[4-(4-methylphenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl}benzonitrile |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C21 H18 N4 O2 S |
| Smiles: | Cc1ccc(cc1)N1CN(Cc2cccc(C#N)c2)S(c2cccnc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7688 |
| logD: | 3.7688 |
| logSw: | -3.8504 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.872 |
| InChI Key: | IPUOOVJOAOWEOA-UHFFFAOYSA-N |