N-(butan-2-yl)-2-[3-tert-butyl-4-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-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-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-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-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Compound characteristics
| Compound ID: | V020-1510 |
| Compound Name: | N-(butan-2-yl)-2-[3-tert-butyl-4-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide |
| Molecular Weight: | 564.75 |
| Molecular Formula: | C31 H40 N4 O4 S |
| Smiles: | CCC(C)NC(CN1C(CSC(c2ccc(c(c2)OC)OC)c2c(C(C)(C)C)nn(c3cccc(C)c3)c12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7598 |
| logD: | 5.7598 |
| logSw: | -5.4047 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.742 |
| InChI Key: | RNIHLXNPUKHLOD-UHFFFAOYSA-N |