2-[4-(2,5-dimethoxyphenyl)-1-methyl-7-oxo-3-phenyl-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-[4-(2,5-dimethoxyphenyl)-1-methyl-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide
2-[4-(2,5-dimethoxyphenyl)-1-methyl-7-oxo-3-phenyl-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: | V007-6210 |
| Compound Name: | 2-[4-(2,5-dimethoxyphenyl)-1-methyl-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide |
| Molecular Weight: | 543.64 |
| Molecular Formula: | C29 H29 N5 O4 S |
| Salt: | not_available |
| Smiles: | Cn1c2c(C(c3cc(ccc3OC)OC)SCC(N2CC(NCc2cccnc2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2871 |
| logD: | 3.2847 |
| logSw: | -3.4073 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.61 |
| InChI Key: | LGJGRKOVNRBKAD-MUUNZHRXSA-N |