N-[2-(dimethylamino)ethyl]-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]acetamide
Chemical Structure Depiction of
N-[2-(dimethylamino)ethyl]-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]acetamide
N-[2-(dimethylamino)ethyl]-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]acetamide
Compound characteristics
| Compound ID: | V020-0198 |
| Compound Name: | N-[2-(dimethylamino)ethyl]-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]acetamide |
| Molecular Weight: | 573.78 |
| Molecular Formula: | C31 H35 N5 O2 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(C)c1)n1c2c(C(c3c(C)ccs3)SCC(N2CC(NCCN(C)C)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5666 |
| logD: | 4.2319 |
| logSw: | -5.3369 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.192 |
| InChI Key: | VFYQVXCJJOQPTA-PMERELPUSA-N |