N-{[4-(dimethylamino)phenyl]methyl}-2-{1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}acetamide
Chemical Structure Depiction of
N-{[4-(dimethylamino)phenyl]methyl}-2-{1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}acetamide
N-{[4-(dimethylamino)phenyl]methyl}-2-{1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}acetamide
Compound characteristics
| Compound ID: | K261-2411 |
| Compound Name: | N-{[4-(dimethylamino)phenyl]methyl}-2-{1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}acetamide |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C24 H30 N4 O3 S |
| Smiles: | CN(C)c1ccc(CNC(CC2(CCCC2)CC2NS(c3ccccc3N=2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5442 |
| logD: | 1.9698 |
| logSw: | -2.9141 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.187 |
| InChI Key: | FMLQYSBGPOZFMB-UHFFFAOYSA-N |