N-cyclopropyl-2-[1-(2,4-dimethylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Chemical Structure Depiction of
N-cyclopropyl-2-[1-(2,4-dimethylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
N-cyclopropyl-2-[1-(2,4-dimethylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Compound characteristics
| Compound ID: | V015-2819 |
| Compound Name: | N-cyclopropyl-2-[1-(2,4-dimethylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide |
| Molecular Weight: | 528.7 |
| Molecular Formula: | C29 H28 N4 O2 S2 |
| Smiles: | Cc1ccc(c(C)c1)n1c2c(C(c3ccsc3)SCC(N2CC(NC2CC2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.801 |
| logD: | 5.801 |
| logSw: | -5.4646 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.27 |
| InChI Key: | VCGOFEHAASDDLR-NDEPHWFRSA-N |