5-(4-ethylphenyl)-4-methyl-3-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
5-(4-ethylphenyl)-4-methyl-3-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
5-(4-ethylphenyl)-4-methyl-3-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0429 |
| Compound Name: | 5-(4-ethylphenyl)-4-methyl-3-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 417.57 |
| Molecular Formula: | C22 H31 N3 O3 S |
| Smiles: | CCc1ccc(cc1)C1=C(C)C(=NS1(=O)=O)N1CCCN(CC1)C(CC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8923 |
| logD: | 3.8923 |
| logSw: | -3.8395 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.662 |
| InChI Key: | WEDWWJRSDOLRCM-UHFFFAOYSA-N |