7-(3,4-dihydroxyphenyl)-N-(4-methoxyphenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
7-(3,4-dihydroxyphenyl)-N-(4-methoxyphenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(3,4-dihydroxyphenyl)-N-(4-methoxyphenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-2240 |
| Compound Name: | 7-(3,4-dihydroxyphenyl)-N-(4-methoxyphenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C21 H21 N5 O4 S |
| Smiles: | CC1=C(C(c2ccc(c(c2)O)O)n2c(N1)nc(n2)SC)C(Nc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0164 |
| logD: | 2.9996 |
| logSw: | -3.3703 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 99.502 |
| InChI Key: | BILCXHMUUPCSGN-SFHVURJKSA-N |