4-{4-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-1,4-diazepane-1-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{4-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-1,4-diazepane-1-carbonyl}benzonitrile
4-{4-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-1,4-diazepane-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | P533-0229 |
| Compound Name: | 4-{4-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-1,4-diazepane-1-carbonyl}benzonitrile |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C24 H24 N4 O3 S |
| Smiles: | CC1=C(c2ccc(C)cc2)S(N=C1N1CCCN(CC1)C(c1ccc(C#N)cc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0784 |
| logD: | 3.0784 |
| logSw: | -3.219 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 76.974 |
| InChI Key: | QBZJWGLYVDJDHK-UHFFFAOYSA-N |