N-(2H-1,3-benzodioxol-5-yl)-N'-(5-{[(7-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-{[(7-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-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Compound characteristics
| Compound ID: | G755-0563 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-N'-(5-{[(7-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=CC2=NC(CSc3nnc(NC(Nc4ccc5c(c4)OCO5)=O)s3)=CC(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6709 |
| logD: | 3.6708 |
| logSw: | -3.9212 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.797 |
| InChI Key: | YOZRLWZXZGOTLU-UHFFFAOYSA-N |