ethyl 4-{[7-(4-bromophenyl)-2-{[(2-chloro-6-fluorophenyl)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-{[(2-chloro-6-fluorophenyl)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-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C202-4104 |
| Compound Name: | ethyl 4-{[7-(4-bromophenyl)-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl]amino}benzoate |
| Molecular Weight: | 656.96 |
| Molecular Formula: | C29 H24 Br Cl F N5 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(C1C(c2ccc(cc2)[Br])n2c(NC=1C)nc(n2)SCc1c(cccc1[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.7488 |
| logD: | 7.7483 |
| logSw: | -6.4524 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.344 |
| InChI Key: | MDCSDBOBTTVGPE-VWLOTQADSA-N |