2-[3-tert-butyl-1-(4-methoxyphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-1-(4-methoxyphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide
2-[3-tert-butyl-1-(4-methoxyphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V014-4137 |
| Compound Name: | 2-[3-tert-butyl-1-(4-methoxyphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide |
| Molecular Weight: | 561.73 |
| Molecular Formula: | C29 H31 N5 O3 S2 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1c2C(c3cccs3)SCC(N(CC(NCc3ccccn3)=O)c2n(c2ccc(cc2)OC)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7853 |
| logD: | 4.7844 |
| logSw: | -4.5103 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.873 |
| InChI Key: | MJYMGKFPYPUCJO-SANMLTNESA-N |