3-[4-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~,2-thiazol-3-yl)-1,4-diazepane-1-carbonyl]benzonitrile
Chemical Structure Depiction of
3-[4-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~,2-thiazol-3-yl)-1,4-diazepane-1-carbonyl]benzonitrile
3-[4-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~,2-thiazol-3-yl)-1,4-diazepane-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | P533-0114 |
| Compound Name: | 3-[4-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~,2-thiazol-3-yl)-1,4-diazepane-1-carbonyl]benzonitrile |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C23 H22 N4 O3 S |
| Smiles: | CC1=C(c2ccccc2)S(N=C1N1CCCN(CC1)C(c1cccc(C#N)c1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4326 |
| logD: | 2.4326 |
| logSw: | -2.6708 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 76.974 |
| InChI Key: | MOUMCEUMCRMNIY-UHFFFAOYSA-N |