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-[(pyridin-3-yl)methyl]acetamide
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-[(pyridin-3-yl)methyl]acetamide
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-[(pyridin-3-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V015-4215 |
| 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-[(pyridin-3-yl)methyl]acetamide |
| Molecular Weight: | 535.71 |
| Molecular Formula: | C29 H37 N5 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1c2C(c3ccccc3OC)SCC(N(CC(NCc3cccnc3)=O)c2n(C(C)(C)C)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4398 |
| logD: | 4.4373 |
| logSw: | -4.122 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.883 |
| InChI Key: | ADGPECBSSPYEDN-RUZDIDTESA-N |