2-[3-tert-butyl-1,4-bis(3-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-1,4-bis(3-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
2-[3-tert-butyl-1,4-bis(3-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
Compound characteristics
| Compound ID: | V027-2736 |
| Compound Name: | 2-[3-tert-butyl-1,4-bis(3-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide |
| Molecular Weight: | 520.69 |
| Molecular Formula: | C29 H36 N4 O3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)C1c2c(C(C)(C)C)nn(c3cccc(C)c3)c2N(CC(NCCOC)=O)C(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4968 |
| logD: | 5.4968 |
| logSw: | -5.2967 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.223 |
| InChI Key: | XGYJRXIDGKXATP-AREMUKBSSA-N |