N-(3-chloro-4-fluorophenyl)-N'-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)urea
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-N'-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)urea
N-(3-chloro-4-fluorophenyl)-N'-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)urea
Compound characteristics
| Compound ID: | G566-1046 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-N'-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)urea |
| Molecular Weight: | 515.97 |
| Molecular Formula: | C22 H15 Cl F N5 O3 S2 |
| Smiles: | CC1=CC2=NC(CSc3nc4ccc(cc4s3)NC(Nc3ccc(c(c3)[Cl])F)=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1924 |
| logD: | 5.1911 |
| logSw: | -5.5958 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.815 |
| InChI Key: | ZKFAVHLJNPDZTC-UHFFFAOYSA-N |