N-(2,3-dihydro-1,4-benzodioxin-6-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-(2,3-dihydro-1,4-benzodioxin-6-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-(2,3-dihydro-1,4-benzodioxin-6-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: | G755-0561 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-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: | 482.54 |
| Molecular Formula: | C21 H18 N6 O4 S2 |
| Smiles: | CC1C=CC2=NC(CSc3nnc(NC(Nc4ccc5c(c4)OCCO5)=O)s3)=CC(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8104 |
| logD: | 2.8102 |
| logSw: | -3.342 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.505 |
| InChI Key: | CAXLHJNJPIARGN-UHFFFAOYSA-N |