2-[3-(4-chlorophenyl)-1-(4-methylphenyl)-7-oxo-4-(thiophen-2-yl)-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-methylphenyl)-7-oxo-4-(thiophen-2-yl)-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-methylphenyl)-7-oxo-4-(thiophen-2-yl)-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: | V025-8285 |
| Compound Name: | 2-[3-(4-chlorophenyl)-1-(4-methylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 589.13 |
| Molecular Formula: | C30 H25 Cl N4 O3 S2 |
| Smiles: | Cc1ccc(cc1)n1c2c(C(c3cccs3)SCC(N2CC(NCc2ccco2)=O)=O)c(c2ccc(cc2)[Cl])n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5942 |
| logD: | 6.5942 |
| logSw: | -6.3316 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.263 |
| InChI Key: | MPOFCLVQANHUBT-LJAQVGFWSA-N |