2-[1-(4-methoxyphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-phenylacetamide
Chemical Structure Depiction of
2-[1-(4-methoxyphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-phenylacetamide
2-[1-(4-methoxyphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-phenylacetamide
Compound characteristics
| Compound ID: | V019-6568 |
| Compound Name: | 2-[1-(4-methoxyphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-phenylacetamide |
| Molecular Weight: | 566.7 |
| Molecular Formula: | C31 H26 N4 O3 S2 |
| Smiles: | COc1ccc(cc1)n1c2c(C(c3ccsc3)SCC(N2CC(Nc2ccccc2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0213 |
| logD: | 6.0213 |
| logSw: | -5.5493 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.736 |
| InChI Key: | BSTNAIRSKQWANN-PMERELPUSA-N |