2-[1-(2,4-dimethylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[1-(2,4-dimethylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
2-[1-(2,4-dimethylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V010-7603 |
| Compound Name: | 2-[1-(2,4-dimethylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 572.75 |
| Molecular Formula: | C31 H32 N4 O3 S2 |
| Smiles: | Cc1ccc(c(C)c1)n1c2c(C(c3ccsc3)SCC(N2CC(NCC2CCCO2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3639 |
| logD: | 5.3639 |
| logSw: | -5.2671 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.868 |
| InChI Key: | DPEAKOSUZJLHNY-UHFFFAOYSA-N |