3-{[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}benzonitrile
3-{[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}benzonitrile
Compound characteristics
| Compound ID: | K261-2501 |
| Compound Name: | 3-{[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}benzonitrile |
| Molecular Weight: | 385.51 |
| Molecular Formula: | C19 H19 N3 O2 S2 |
| Smiles: | CCCCN1C(=NS(c2ccccc12)(=O)=O)SCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.0502 |
| logD: | 4.0502 |
| logSw: | -3.9426 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.019 |
| InChI Key: | VKYPOHKBBJPCMV-UHFFFAOYSA-N |