N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(5-{[(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-{[(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-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Compound characteristics
| Compound ID: | G755-0261 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(5-{[(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: | C1COc2cc(ccc2O1)NC(Nc1nnc(SCC2=CC(N3C=CC=CC3=N2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.444 |
| logD: | 2.4439 |
| logSw: | -2.968 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.985 |
| InChI Key: | AQKKYCLHODVNQA-UHFFFAOYSA-N |