N-(2-methoxyethyl)-2-[1-(2-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-(2-methoxyethyl)-2-[1-(2-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-(2-methoxyethyl)-2-[1-(2-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: | V030-6126 |
| Compound Name: | N-(2-methoxyethyl)-2-[1-(2-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: | 532.68 |
| Molecular Formula: | C28 H28 N4 O3 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c2c(C(c3cccs3)SCC(N2CC(NCCOC)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4392 |
| logD: | 4.4392 |
| logSw: | -4.2029 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.669 |
| InChI Key: | DZFZFGAGZRXJRD-MHZLTWQESA-N |