N-(2-cyanoethyl)-2-{6-[1-(2-ethylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-[(pyridin-3-yl)methyl]acetamide
Chemical Structure Depiction of
N-(2-cyanoethyl)-2-{6-[1-(2-ethylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-[(pyridin-3-yl)methyl]acetamide
N-(2-cyanoethyl)-2-{6-[1-(2-ethylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-[(pyridin-3-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V022-3829 |
| Compound Name: | N-(2-cyanoethyl)-2-{6-[1-(2-ethylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-[(pyridin-3-yl)methyl]acetamide |
| Molecular Weight: | 551.67 |
| Molecular Formula: | C30 H29 N7 O2 S |
| Salt: | not_available |
| Smiles: | CCc1ccccc1n1c(C)cc(C2=C(C)N=C3N(C(CC(N(CCC#N)Cc4cccnc4)=O)=CS3)C2=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.6594 |
| logD: | 2.659 |
| logSw: | -2.7203 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.295 |
| InChI Key: | DDVKTEVRRNWSMV-UHFFFAOYSA-N |