3-[4-(1-ethyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-[4-(1-ethyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
3-[4-(1-ethyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0254 |
| Compound Name: | 3-[4-(1-ethyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C22 H27 N5 O3 S |
| Smiles: | CCn1ccc(C(N2CCCN(CC2)C2C(C)=C(c3ccc(C)cc3)S(N=2)(=O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.3587 |
| logD: | 2.3587 |
| logSw: | -2.5591 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.302 |
| InChI Key: | OZUUXFZDUBVXOZ-UHFFFAOYSA-N |