N-[(4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)-7-oxo-3-phenyl-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)-7-oxo-3-phenyl-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
N-[(4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)-7-oxo-3-phenyl-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Compound characteristics
| Compound ID: | V027-4518 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)-7-oxo-3-phenyl-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide |
| Molecular Weight: | 598.72 |
| Molecular Formula: | C32 H27 F N4 O3 S2 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)n1c2c(C(c3cccs3)SCC(N2CC(NCc2ccc(cc2)F)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7318 |
| logD: | 5.7318 |
| logSw: | -5.4975 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.058 |
| InChI Key: | FKGLKCWZEMMDIS-HKBQPEDESA-N |