2-[1-(2,4-dimethylphenyl)-4-(3-methylthiophen-2-yl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Chemical Structure Depiction of
2-[1-(2,4-dimethylphenyl)-4-(3-methylthiophen-2-yl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
2-[1-(2,4-dimethylphenyl)-4-(3-methylthiophen-2-yl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Compound characteristics
| Compound ID: | V010-3824 |
| Compound Name: | 2-[1-(2,4-dimethylphenyl)-4-(3-methylthiophen-2-yl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide |
| Molecular Weight: | 544.74 |
| Molecular Formula: | C30 H32 N4 O2 S2 |
| Smiles: | CCCNC(CN1C(CSC(c2c(c3ccccc3)nn(c3ccc(C)cc3C)c12)c1c(C)ccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4566 |
| logD: | 6.4566 |
| logSw: | -5.5575 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.327 |
| InChI Key: | AYHABXCUIIFBBY-LJAQVGFWSA-N |