N-cyclopropyl-2-[1-(3-methylphenyl)-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-cyclopropyl-2-[1-(3-methylphenyl)-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-cyclopropyl-2-[1-(3-methylphenyl)-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: | V015-2831 |
| Compound Name: | N-cyclopropyl-2-[1-(3-methylphenyl)-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: | 514.67 |
| Molecular Formula: | C28 H26 N4 O2 S2 |
| Smiles: | Cc1cccc(c1)n1c2c(C(c3cccs3)SCC(N2CC(NC2CC2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1064 |
| logD: | 5.1064 |
| logSw: | -4.945 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.571 |
| InChI Key: | DFQIQYXCQFLWNA-MHZLTWQESA-N |