4-[5-(4-ethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-propyl-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-propyl-1,4-diazepane-1-carboxamide
4-[5-(4-ethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-propyl-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | T379-0071 |
| Compound Name: | 4-[5-(4-ethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-propyl-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C21 H30 N4 O3 S |
| Smiles: | CCCNC(N1CCCN(CC1)C1C(C)=C(c2ccc(CC)cc2)S(N=1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6278 |
| logD: | 3.6278 |
| logSw: | -3.6079 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.174 |
| InChI Key: | ABHRFKXIQBHRDC-UHFFFAOYSA-N |