2-[1-(2,4-dimethylphenyl)-4-(3-methylthiophen-2-yl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
Chemical Structure Depiction of
2-[1-(2,4-dimethylphenyl)-4-(3-methylthiophen-2-yl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
2-[1-(2,4-dimethylphenyl)-4-(3-methylthiophen-2-yl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
Compound characteristics
Compound ID: | V008-1905 |
Compound Name: | 2-[1-(2,4-dimethylphenyl)-4-(3-methylthiophen-2-yl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide |
Molecular Weight: | 560.74 |
Molecular Formula: | C30 H32 N4 O3 S2 |
Smiles: | Cc1ccc(c(C)c1)n1c2c(C(c3c(C)ccs3)SCC(N2CC(NCCOC)=O)=O)c(c2ccccc2)n1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.7237 |
logD: | 5.7237 |
logSw: | -5.3716 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.669 |
InChI Key: | IMKIOACSVCZXPO-LJAQVGFWSA-N |