N-(3-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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: | G566-1052 |
| Compound Name: | N-(3-methoxyphenyl)-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: | 493.56 |
| Molecular Formula: | C23 H19 N5 O4 S2 |
| Smiles: | CC1=CC2=NC(CSc3nc4ccc(cc4s3)NC(Nc3cccc(c3)OC)=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5287 |
| logD: | 4.5287 |
| logSw: | -4.4588 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.359 |
| InChI Key: | IUDXSAZLFNHOQE-UHFFFAOYSA-N |