2-[4-(2H-1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(4-methoxyphenyl)-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-[4-(2H-1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(4-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
2-[4-(2H-1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(4-methoxyphenyl)-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: | V029-9365 |
| Compound Name: | 2-[4-(2H-1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(4-methoxyphenyl)-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: | 643.12 |
| Molecular Formula: | C33 H27 Cl N4 O6 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)n1c2c(C(c3ccc4c(c3)OCO4)SCC(N2CC(NCc2ccco2)=O)=O)c(c2ccc(cc2)[Cl])n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5325 |
| logD: | 6.5325 |
| logSw: | -6.4339 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.904 |
| InChI Key: | OOQUWIXBECDSDH-JGCGQSQUSA-N |