3-[(1-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-[(1-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
3-[(1-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | K261-0705 |
| Compound Name: | 3-[(1-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione |
| Molecular Weight: | 501.05 |
| Molecular Formula: | C25 H29 Cl N4 O3 S |
| Smiles: | C1CCC(C1)(CC1NS(c2ccccc2N=1)(=O)=O)CC(N1CCN(CC1)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5449 |
| logD: | 2.9706 |
| logSw: | -3.7959 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.564 |
| InChI Key: | JDSYOUOHUOBZAD-UHFFFAOYSA-N |