4-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-(2-methylpropyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-(2-methylpropyl)-1,4-diazepane-1-carboxamide
4-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-(2-methylpropyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | T379-0043 |
| Compound Name: | 4-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-(2-methylpropyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 438.98 |
| Molecular Formula: | C20 H27 Cl N4 O3 S |
| Smiles: | CC(C)CNC(N1CCCN(CC1)C1C(C)=C(c2ccc(cc2)[Cl])S(N=1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3625 |
| logD: | 3.3625 |
| logSw: | -3.9076 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.332 |
| InChI Key: | JRODHEGDLYXKSO-UHFFFAOYSA-N |