4-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-(2-methoxyethyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-(2-methoxyethyl)-1,4-diazepane-1-carboxamide
4-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-(2-methoxyethyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | T379-0018 |
| Compound Name: | 4-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-(2-methoxyethyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 434.56 |
| Molecular Formula: | C21 H30 N4 O4 S |
| Smiles: | CC1=C(c2ccc(C)c(C)c2)S(N=C1N1CCCN(CC1)C(NCCOC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8853 |
| logD: | 2.8853 |
| logSw: | -3.3441 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.516 |
| InChI Key: | PTBHSUNNYFJOSJ-UHFFFAOYSA-N |