2-[1-(2-chlorophenyl)-7-oxo-3-phenyl-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide
Chemical Structure Depiction of
2-[1-(2-chlorophenyl)-7-oxo-3-phenyl-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide
2-[1-(2-chlorophenyl)-7-oxo-3-phenyl-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide
Compound characteristics
| Compound ID: | V021-2921 |
| Compound Name: | 2-[1-(2-chlorophenyl)-7-oxo-3-phenyl-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide |
| Molecular Weight: | 566.14 |
| Molecular Formula: | C28 H28 Cl N5 O2 S2 |
| Salt: | not_available |
| Smiles: | CN(C)CCNC(CN1C(CSC(c2c(c3ccccc3)nn(c3ccccc3[Cl])c12)c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3138 |
| logD: | 2.9791 |
| logSw: | -4.3372 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.192 |
| InChI Key: | WYGNZGQGTAHKCC-MHZLTWQESA-N |