5-(4-ethylphenyl)-4-methyl-3-[4-(2-methylhexanoyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
5-(4-ethylphenyl)-4-methyl-3-[4-(2-methylhexanoyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
5-(4-ethylphenyl)-4-methyl-3-[4-(2-methylhexanoyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
Compound ID: | P533-0451 |
Compound Name: | 5-(4-ethylphenyl)-4-methyl-3-[4-(2-methylhexanoyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione |
Molecular Weight: | 445.62 |
Molecular Formula: | C24 H35 N3 O3 S |
Smiles: | CCCCC(C)C(N1CCCN(CC1)C1C(C)=C(c2ccc(CC)cc2)S(N=1)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.845 |
logD: | 4.845 |
logSw: | -4.513 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 60.189 |
InChI Key: | YUIAZDDEPGXWHO-SFHVURJKSA-N |