N-(2H-1,3-benzodioxol-5-yl)-N'-(5-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-N'-(5-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
N-(2H-1,3-benzodioxol-5-yl)-N'-(5-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Compound characteristics
| Compound ID: | G755-0463 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-N'-(5-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea |
| Molecular Weight: | 468.51 |
| Molecular Formula: | C20 H16 N6 O4 S2 |
| Smiles: | CC1C=CN2C(C=1)=NC(CSc1nnc(NC(Nc3ccc4c(c3)OCO4)=O)s1)=CC2=O |
| Stereo: | ACHIRAL |
| logP: | 3.6169 |
| logD: | 3.6168 |
| logSw: | -3.7919 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.278 |
| InChI Key: | MRHSQWRZWFIQHK-UHFFFAOYSA-N |