4-methyl-5-(4-methylphenyl)-3-[4-(oxolane-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-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
4-methyl-5-(4-methylphenyl)-3-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0211 |
| Compound Name: | 4-methyl-5-(4-methylphenyl)-3-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C21 H27 N3 O4 S |
| Smiles: | CC1=C(c2ccc(C)cc2)S(N=C1N1CCCN(CC1)C(C1CCOC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1911 |
| logD: | 2.1911 |
| logSw: | -2.4621 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.882 |
| InChI Key: | VFCXQNYNNSAITG-SFHVURJKSA-N |