4-[5-(4-ethylphenyl)-4-methyl-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-[5-(4-ethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-(prop-2-en-1-yl)-1,4-diazepane-1-carboxamide
4-[5-(4-ethylphenyl)-4-methyl-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: | T379-0079 |
| Compound Name: | 4-[5-(4-ethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-(prop-2-en-1-yl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C21 H28 N4 O3 S |
| Smiles: | CCc1ccc(cc1)C1=C(C)C(=NS1(=O)=O)N1CCCN(CC1)C(NCC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9428 |
| logD: | 2.9428 |
| logSw: | -3.3382 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.174 |
| InChI Key: | KMVGGKGDHDTJBT-UHFFFAOYSA-N |