N-(4-chlorophenyl)-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-(4-chlorophenyl)-N'-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
N-(4-chlorophenyl)-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: | G755-0228 |
| Compound Name: | N-(4-chlorophenyl)-N'-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea |
| Molecular Weight: | 444.92 |
| Molecular Formula: | C18 H13 Cl N6 O2 S2 |
| Smiles: | C(C1=CC(N2C=CC=CC2=N1)=O)Sc1nnc(NC(Nc2ccc(cc2)[Cl])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0662 |
| logD: | 4.066 |
| logSw: | -4.6216 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.162 |
| InChI Key: | QKGHNXFGJGFGHO-UHFFFAOYSA-N |