2-[4-(2,5-dimethoxyphenyl)-1-methyl-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide
Chemical Structure Depiction of
2-[4-(2,5-dimethoxyphenyl)-1-methyl-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide
2-[4-(2,5-dimethoxyphenyl)-1-methyl-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide
Compound characteristics
| Compound ID: | V020-2069 |
| Compound Name: | 2-[4-(2,5-dimethoxyphenyl)-1-methyl-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide |
| Molecular Weight: | 523.65 |
| Molecular Formula: | C27 H33 N5 O4 S |
| Salt: | not_available |
| Smiles: | CN(C)CCNC(CN1C(CSC(c2cc(ccc2OC)OC)c2c(c3ccccc3)nn(C)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6918 |
| logD: | 1.3571 |
| logSw: | -3.2466 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.071 |
| InChI Key: | ARCYSXRMCMFOSG-AREMUKBSSA-N |