2-[3-tert-butyl-1-(2-ethylphenyl)-4-(4-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-[3-tert-butyl-1-(2-ethylphenyl)-4-(4-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
2-[3-tert-butyl-1-(2-ethylphenyl)-4-(4-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Compound characteristics
| Compound ID: | V020-4195 |
| Compound Name: | 2-[3-tert-butyl-1-(2-ethylphenyl)-4-(4-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide |
| Molecular Weight: | 534.72 |
| Molecular Formula: | C30 H38 N4 O3 S |
| Smiles: | CCCNC(CN1C(CSC(c2ccc(cc2)OC)c2c(C(C)(C)C)nn(c3ccccc3CC)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9485 |
| logD: | 5.9485 |
| logSw: | -5.5115 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.124 |
| InChI Key: | NOWPTVXLLREYQE-HHHXNRCGSA-N |