N-(butan-2-yl)-2-[3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-[3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
N-(butan-2-yl)-2-[3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Compound characteristics
| Compound ID: | V007-9617 |
| Compound Name: | N-(butan-2-yl)-2-[3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide |
| Molecular Weight: | 564.75 |
| Molecular Formula: | C31 H40 N4 O4 S |
| Smiles: | CCC(C)NC(CN1C(CSC(c2cc(ccc2OC)OC)c2c(C(C)(C)C)nn(c3ccccc3C)c12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1263 |
| logD: | 6.1263 |
| logSw: | -5.4308 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.354 |
| InChI Key: | IXBJPAGNKYCAKQ-UHFFFAOYSA-N |