N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-N'-phenylurea
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)-N'-phenylurea
N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-N'-phenylurea
Compound characteristics
| Compound ID: | G566-1032 |
| 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)-N'-phenylurea |
| Molecular Weight: | 463.54 |
| Molecular Formula: | C22 H17 N5 O3 S2 |
| Smiles: | CC1=CC2=NC(CSc3nc4ccc(cc4s3)NC(Nc3ccccc3)=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2705 |
| logD: | 4.2705 |
| logSw: | -4.3024 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.815 |
| InChI Key: | DPUMJHPTFYVACS-UHFFFAOYSA-N |