3-chloro-4-fluoro-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
3-chloro-4-fluoro-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
3-chloro-4-fluoro-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | G566-0369 |
| Compound Name: | 3-chloro-4-fluoro-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 500.96 |
| Molecular Formula: | C22 H14 Cl F N4 O3 S2 |
| Smiles: | CC1=CC2=NC(CSc3nc4ccc(cc4s3)NC(c3ccc(c(c3)[Cl])F)=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3516 |
| logD: | 4.312 |
| logSw: | -4.5272 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.603 |
| InChI Key: | URVWJNBZBCJCQM-UHFFFAOYSA-N |