4-[2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-6-(phenylcarbamoyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid
Chemical Structure Depiction of
4-[2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-6-(phenylcarbamoyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid
4-[2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-6-(phenylcarbamoyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid
Compound characteristics
| Compound ID: | G922-0916 |
| Compound Name: | 4-[2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-6-(phenylcarbamoyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid |
| Molecular Weight: | 532.02 |
| Molecular Formula: | C27 H22 Cl N5 O3 S |
| Smiles: | CC1=C(C(c2ccc(cc2)C(O)=O)n2c(N1)nc(n2)SCc1ccc(cc1)[Cl])C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5381 |
| logD: | 2.5666 |
| logSw: | -5.9319 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.999 |
| InChI Key: | FHEIOTQQZCCKPZ-QHCPKHFHSA-N |