N-(butan-2-yl)-2-[3-tert-butyl-4-(3-chlorophenyl)-1-(4-methoxyphenyl)-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-(3-chlorophenyl)-1-(4-methoxyphenyl)-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-(3-chlorophenyl)-1-(4-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Compound characteristics
| Compound ID: | V020-7778 |
| Compound Name: | N-(butan-2-yl)-2-[3-tert-butyl-4-(3-chlorophenyl)-1-(4-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide |
| Molecular Weight: | 555.14 |
| Molecular Formula: | C29 H35 Cl N4 O3 S |
| Smiles: | CCC(C)NC(CN1C(CSC(c2cccc(c2)[Cl])c2c(C(C)(C)C)nn(c3ccc(cc3)OC)c12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1891 |
| logD: | 6.1891 |
| logSw: | -6.0908 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.025 |
| InChI Key: | HWZRWDWLZOYLOX-UHFFFAOYSA-N |