ethyl 4-{[7-(4-bromophenyl)-2-{[(3-methoxyphenyl)methyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[7-(4-bromophenyl)-2-{[(3-methoxyphenyl)methyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl]amino}benzoate
ethyl 4-{[7-(4-bromophenyl)-2-{[(3-methoxyphenyl)methyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C202-4103 |
| Compound Name: | ethyl 4-{[7-(4-bromophenyl)-2-{[(3-methoxyphenyl)methyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl]amino}benzoate |
| Molecular Weight: | 634.55 |
| Molecular Formula: | C30 H28 Br N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(C1C(c2ccc(cc2)[Br])n2c(NC=1C)nc(n2)SCc1cccc(c1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0551 |
| logD: | 7.0546 |
| logSw: | -5.6588 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.888 |
| InChI Key: | OVNAYBXGQJJMDP-SANMLTNESA-N |