3-[4-(6-methoxypyridine-3-carbonyl)-1,4-diazepan-1-yl]-4-methyl-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-[4-(6-methoxypyridine-3-carbonyl)-1,4-diazepan-1-yl]-4-methyl-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione
3-[4-(6-methoxypyridine-3-carbonyl)-1,4-diazepan-1-yl]-4-methyl-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0126 |
| Compound Name: | 3-[4-(6-methoxypyridine-3-carbonyl)-1,4-diazepan-1-yl]-4-methyl-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C22 H24 N4 O4 S |
| Smiles: | CC1=C(c2ccccc2)S(N=C1N1CCCN(CC1)C(c1ccc(nc1)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3588 |
| logD: | 2.3588 |
| logSw: | -2.3727 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.499 |
| InChI Key: | ZQWHKVXUHNHQPU-UHFFFAOYSA-N |