3-[(1-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-[(1-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
3-[(1-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | K261-0836 |
| Compound Name: | 3-[(1-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione |
| Molecular Weight: | 494.66 |
| Molecular Formula: | C27 H34 N4 O3 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CC1(CCCC1)CC1NS(c2ccccc2N=1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1193 |
| logD: | 3.5449 |
| logSw: | -4.1658 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.263 |
| InChI Key: | KQMDDZOWBXFKBI-UHFFFAOYSA-N |