N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-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)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | G072-2417 |
| 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)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 492.53 |
| Molecular Formula: | C23 H16 N4 O5 S2 |
| Smiles: | CC1=CC2=NC(CSc3nc4ccc(cc4s3)NC(c3ccc4c(c3)OCO4)=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7341 |
| logD: | 3.734 |
| logSw: | -4.0478 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.719 |
| InChI Key: | KMZKMPCGRZJXIL-UHFFFAOYSA-N |