N-(butan-2-yl)-2-[3-tert-butyl-1-(4-fluorophenyl)-7-oxo-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-(butan-2-yl)-2-[3-tert-butyl-1-(4-fluorophenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
N-(butan-2-yl)-2-[3-tert-butyl-1-(4-fluorophenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Compound characteristics
| Compound ID: | V020-7852 |
| Compound Name: | N-(butan-2-yl)-2-[3-tert-butyl-1-(4-fluorophenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide |
| Molecular Weight: | 514.68 |
| Molecular Formula: | C26 H31 F N4 O2 S2 |
| Smiles: | CCC(C)NC(CN1C(CSC(c2c(C(C)(C)C)nn(c3ccc(cc3)F)c12)c1cccs1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2144 |
| logD: | 5.2144 |
| logSw: | -4.9528 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.499 |
| InChI Key: | YLQUERPLJKUYDI-UHFFFAOYSA-N |