N-(4-chlorophenyl)-N'-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Chemical Structure Depiction of
N-(4-chlorophenyl)-N'-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
N-(4-chlorophenyl)-N'-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Compound characteristics
| Compound ID: | G566-0987 |
| Compound Name: | N-(4-chlorophenyl)-N'-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea |
| Molecular Weight: | 448.91 |
| Molecular Formula: | C17 H13 Cl N6 O3 S2 |
| Smiles: | CC1=CC2=NC(CSc3nnc(NC(Nc4ccc(cc4)[Cl])=O)s3)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6419 |
| logD: | 3.6417 |
| logSw: | -4.2377 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.639 |
| InChI Key: | NULQAIYOEFMZFX-UHFFFAOYSA-N |