2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V007-1542 |
| Compound Name: | 2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 613.14 |
| Molecular Formula: | C33 H29 Cl N4 O4 S |
| Smiles: | Cc1ccccc1C1c2c(c3ccc(cc3)[Cl])nn(c3ccc(cc3)OC)c2N(CC(NCc2ccco2)=O)C(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9599 |
| logD: | 6.9599 |
| logSw: | -6.3254 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.789 |
| InChI Key: | FSJLUFYIXHNUNE-JGCGQSQUSA-N |