3-[4-(1-ethyl-1H-pyrazole-5-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-5-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-5-carbonyl)-1,4-diazepan-1-yl]-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0253 |
| Compound Name: | 3-[4-(1-ethyl-1H-pyrazole-5-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: | CCn1c(ccn1)C(N1CCCN(CC1)C1C(C)=C(c2ccc(C)cc2)S(N=1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3626 |
| logD: | 2.3626 |
| logSw: | -2.5578 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.006 |
| InChI Key: | VHBMVJNTVSCXFO-UHFFFAOYSA-N |