2-({4-[4-(1,2-benzothiazol-3-yl)piperazine-1-carbonyl]cyclohexyl}methyl)-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of
2-({4-[4-(1,2-benzothiazol-3-yl)piperazine-1-carbonyl]cyclohexyl}methyl)-2,3-dihydro-1H-isoindol-1-one
2-({4-[4-(1,2-benzothiazol-3-yl)piperazine-1-carbonyl]cyclohexyl}methyl)-2,3-dihydro-1H-isoindol-1-one
Compound characteristics
| Compound ID: | D757-0033 |
| Compound Name: | 2-({4-[4-(1,2-benzothiazol-3-yl)piperazine-1-carbonyl]cyclohexyl}methyl)-2,3-dihydro-1H-isoindol-1-one |
| Molecular Weight: | 474.62 |
| Molecular Formula: | C27 H30 N4 O2 S |
| Smiles: | C1C[C@@H](CC[C@H]1CN1Cc2ccccc2C1=O)C(N1CCN(CC1)c1c2ccccc2sn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 5.1296 |
| logD: | 5.1296 |
| logSw: | -5.5358 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.139 |
| InChI Key: | DDQXGCZDFNZARP-UHFFFAOYSA-N |