3-{[4-(3-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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: | P799-0516 |
| Compound Name: | 3-{[4-(3-chlorophenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl}benzonitrile |
| Molecular Weight: | 424.86 |
| Molecular Formula: | C20 H13 Cl N4 O3 S |
| Smiles: | C(c1cccc(C#N)c1)N1C(N(c2cccc(c2)[Cl])c2c(cccn2)S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1217 |
| logD: | 3.1217 |
| logSw: | -3.4058 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.735 |
| InChI Key: | ANMUUSLRZMERCN-UHFFFAOYSA-N |