2,2-dimethyl-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
Chemical Structure Depiction of
2,2-dimethyl-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
2,2-dimethyl-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
Compound characteristics
| Compound ID: | G072-2395 |
| Compound Name: | 2,2-dimethyl-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C20 H20 N4 O3 S2 |
| Smiles: | CC1=CC2=NC(CSc3nc4ccc(cc4s3)NC(C(C)(C)C)=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4028 |
| logD: | 3.4027 |
| logSw: | -3.73 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.875 |
| InChI Key: | YBZHVRGELVSXQF-UHFFFAOYSA-N |