2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Chemical Structure Depiction of
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Compound characteristics
| Compound ID: | G566-0365 |
| Compound Name: | 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide |
| Molecular Weight: | 531.57 |
| Molecular Formula: | C25 H17 N5 O5 S2 |
| Smiles: | CC1=CC2=NC(CSc3nc4ccc(cc4s3)NC(CN3C(c4ccccc4C3=O)=O)=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0774 |
| logD: | 3.0773 |
| logSw: | -3.461 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.914 |
| InChI Key: | YCXSDZPYSKSNMI-UHFFFAOYSA-N |