2-[3-tert-butyl-1-(3-fluorophenyl)-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-tert-butyl-1-(3-fluorophenyl)-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-tert-butyl-1-(3-fluorophenyl)-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: | V001-5315 |
| Compound Name: | 2-[3-tert-butyl-1-(3-fluorophenyl)-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: | 546.66 |
| Molecular Formula: | C30 H31 F N4 O3 S |
| Smiles: | Cc1ccccc1C1c2c(C(C)(C)C)nn(c3cccc(c3)F)c2N(CC(NCc2ccco2)=O)C(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3405 |
| logD: | 6.3405 |
| logSw: | -5.4708 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.516 |
| InChI Key: | ULBGBTHIGDSJIH-HHHXNRCGSA-N |