2-[4-(2-chlorophenyl)-1-(2,4-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide
Chemical Structure Depiction of
2-[4-(2-chlorophenyl)-1-(2,4-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide
2-[4-(2-chlorophenyl)-1-(2,4-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide
Compound characteristics
Compound ID: | V005-0131 |
Compound Name: | 2-[4-(2-chlorophenyl)-1-(2,4-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide |
Molecular Weight: | 608.16 |
Molecular Formula: | C34 H30 Cl N5 O2 S |
Salt: | not_available |
Smiles: | Cc1ccc(c(C)c1)n1c2c(C(c3ccccc3[Cl])SCC(N2CC(NCc2cccnc2)=O)=O)c(c2ccccc2)n1 |
Stereo: | RACEMIC MIXTURE |
logP: | 6.5457 |
logD: | 6.5433 |
logSw: | -6.1179 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.713 |
InChI Key: | FRTQCFZQCDTGKQ-MGBGTMOVSA-N |