N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)adamantane-1-carboxamide
N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | G566-0279 |
| Compound Name: | N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)adamantane-1-carboxamide |
| Molecular Weight: | 506.65 |
| Molecular Formula: | C26 H26 N4 O3 S2 |
| Smiles: | CC1=CC2=NC(CSc3nc4ccc(cc4s3)NC(C34CC5CC(CC(C5)C4)C3)=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4981 |
| logD: | 5.4978 |
| logSw: | -5.4277 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.636 |
| InChI Key: | AGBQQHAXPQUJSR-UHFFFAOYSA-N |