4-methyl-3-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
4-methyl-3-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione
4-methyl-3-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0078 |
| Compound Name: | 4-methyl-3-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C20 H25 N3 O4 S |
| Smiles: | CC1=C(c2ccccc2)S(N=C1N1CCCN(CC1)C(C1CCOC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6627 |
| logD: | 1.6627 |
| logSw: | -2.2667 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.882 |
| InChI Key: | FDVMUGZYKIOBFT-KRWDZBQOSA-N |