4-{[(1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[(1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}benzonitrile
4-{[(1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}benzonitrile
Compound characteristics
| Compound ID: | K261-2200 |
| Compound Name: | 4-{[(1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}benzonitrile |
| Molecular Weight: | 371.48 |
| Molecular Formula: | C18 H17 N3 O2 S2 |
| Smiles: | CCCN1C(=NS(c2ccccc12)(=O)=O)SCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3784 |
| logD: | 3.3784 |
| logSw: | -3.6886 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.019 |
| InChI Key: | IKWSEFHRXKTPEE-UHFFFAOYSA-N |