N-tert-butyl-2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-tert-butyl-2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
N-tert-butyl-2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8009-6549 |
| Compound Name: | N-tert-butyl-2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C21 H19 N3 O3 S2 |
| Smiles: | CC(C)(C)NC(CSc1nc2ccc(cc2s1)N1C(c2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1527 |
| logD: | 4.1527 |
| logSw: | -4.2759 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.257 |
| InChI Key: | SIVJRGOXNPLPNH-UHFFFAOYSA-N |