4-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-(prop-2-en-1-yl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-(prop-2-en-1-yl)-1,4-diazepane-1-carboxamide
4-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-(prop-2-en-1-yl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | T379-0086 |
| Compound Name: | 4-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-(prop-2-en-1-yl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C20 H26 N4 O3 S |
| Smiles: | CC1=C(c2ccc(C)cc2)S(N=C1N1CCCN(CC1)C(NCC=C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4355 |
| logD: | 2.4355 |
| logSw: | -2.7986 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.174 |
| InChI Key: | KWGLGQNJBXUISC-UHFFFAOYSA-N |