2-[1-(2-chlorophenyl)-4-(2-methoxyphenyl)-7-oxo-3-phenyl-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-[1-(2-chlorophenyl)-4-(2-methoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide
2-[1-(2-chlorophenyl)-4-(2-methoxyphenyl)-7-oxo-3-phenyl-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: | V026-5051 |
| Compound Name: | 2-[1-(2-chlorophenyl)-4-(2-methoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide |
| Molecular Weight: | 610.13 |
| Molecular Formula: | C33 H28 Cl N5 O3 S |
| Salt: | not_available |
| Smiles: | COc1ccccc1C1c2c(c3ccccc3)nn(c3ccccc3[Cl])c2N(CC(NCc2ccccn2)=O)C(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7343 |
| logD: | 5.7333 |
| logSw: | -5.8465 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.369 |
| InChI Key: | TUHYEWBGTGYDQX-JGCGQSQUSA-N |