1,3-di-tert-butyl-4-(2-methoxyphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1,3-di-tert-butyl-4-(2-methoxyphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1,3-di-tert-butyl-4-(2-methoxyphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V026-5006 |
| Compound Name: | 1,3-di-tert-butyl-4-(2-methoxyphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 498.69 |
| Molecular Formula: | C27 H38 N4 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1c2C(c3ccccc3OC)SCC(N(CC(N3CCCC3)=O)c2n(C(C)(C)C)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7992 |
| logD: | 4.7992 |
| logSw: | -4.5584 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.652 |
| InChI Key: | HYKZQYQSZJJMOP-HSZRJFAPSA-N |