4-methyl-5-(4-methylphenyl)-3-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
4-methyl-5-(4-methylphenyl)-3-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
4-methyl-5-(4-methylphenyl)-3-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0250 |
| Compound Name: | 4-methyl-5-(4-methylphenyl)-3-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C22 H24 N4 O3 S |
| Smiles: | CC1=C(c2ccc(C)cc2)S(N=C1N1CCCN(CC1)C(c1cccnc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1314 |
| logD: | 2.1313 |
| logSw: | -2.1217 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.435 |
| InChI Key: | XPMVBOBKXSCANQ-UHFFFAOYSA-N |