4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-(3-methylbutyl)-4-oxobutanamide
Chemical Structure Depiction of
4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-(3-methylbutyl)-4-oxobutanamide
4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-(3-methylbutyl)-4-oxobutanamide
Compound characteristics
| Compound ID: | Y041-0984 |
| Compound Name: | 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-(3-methylbutyl)-4-oxobutanamide |
| Molecular Weight: | 388.53 |
| Molecular Formula: | C20 H28 N4 O2 S |
| Smiles: | CC(C)CCNC(CCC(N1CCN(CC1)c1c2ccccc2sn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7968 |
| logD: | 2.7968 |
| logSw: | -3.2235 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.357 |
| InChI Key: | XCIYDBJOELMSLZ-UHFFFAOYSA-N |