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-propylacetamide
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-propylacetamide
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-propylacetamide
Compound characteristics
| Compound ID: | V029-0308 |
| 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-propylacetamide |
| Molecular Weight: | 494.61 |
| Molecular Formula: | C26 H30 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCCNC(CN1C(CSC(c2cc(ccc2OC)OC)c2c(c3ccccc3)nn(C)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5818 |
| logD: | 3.5818 |
| logSw: | -3.7984 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.205 |
| InChI Key: | PLZTZSUWUATLOU-RUZDIDTESA-N |