2-[1,3-di-tert-butyl-4-(2-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Chemical Structure Depiction of
2-[1,3-di-tert-butyl-4-(2-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
2-[1,3-di-tert-butyl-4-(2-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Compound characteristics
| Compound ID: | V020-3034 |
| Compound Name: | 2-[1,3-di-tert-butyl-4-(2-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide |
| Molecular Weight: | 486.68 |
| Molecular Formula: | C26 H38 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCCNC(CN1C(CSC(c2ccccc2OC)c2c(C(C)(C)C)nn(c12)C(C)(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7344 |
| logD: | 4.7344 |
| logSw: | -4.4452 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.478 |
| InChI Key: | BEOMQYDNEHLOSO-JOCHJYFZSA-N |