2-[3-tert-butyl-4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-7-oxo-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-[3-tert-butyl-4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
2-[3-tert-butyl-4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-7-oxo-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: | V004-4485 |
| Compound Name: | 2-[3-tert-butyl-4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 581.18 |
| Molecular Formula: | C31 H37 Cl N4 O3 S |
| Smiles: | Cc1cccc(c1C)n1c2c(C(c3cccc(c3)[Cl])SCC(N2CC(NCC2CCCO2)=O)=O)c(C(C)(C)C)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0844 |
| logD: | 6.0844 |
| logSw: | -6.0876 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.121 |
| InChI Key: | DMAPHSVSRUOLBZ-UHFFFAOYSA-N |