2-[4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(4-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide
Chemical Structure Depiction of
2-[4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(4-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide
2-[4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(4-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide
Compound characteristics
| Compound ID: | V021-2922 |
| Compound Name: | 2-[4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(4-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide |
| Molecular Weight: | 579.72 |
| Molecular Formula: | C30 H37 N5 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1c2C(c3ccc4c(c3)OCO4)SCC(N(CC(NCCN(C)C)=O)c2n(c2ccc(cc2)OC)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2514 |
| logD: | 2.9167 |
| logSw: | -4.2717 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.406 |
| InChI Key: | IMEISUIRVQNIBH-HHHXNRCGSA-N |