2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-ethylphenyl)acetamide
Chemical Structure Depiction of
2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-ethylphenyl)acetamide
2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-ethylphenyl)acetamide
Compound characteristics
Compound ID: | E960-0912 |
Compound Name: | 2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-ethylphenyl)acetamide |
Molecular Weight: | 475.61 |
Molecular Formula: | C26 H29 N5 O2 S |
Smiles: | CCc1cccc(c1)NC(CSC1=Nc2c(C)nn(CC)c2C(N1Cc1ccc(C)cc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.4676 |
logD: | 4.4676 |
logSw: | -4.3035 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.587 |
InChI Key: | ZVYFZCLGDCYQBZ-UHFFFAOYSA-N |