2-[2-(2-nitrophenoxy)acetamido]-N-[(oxolan-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-[2-(2-nitrophenoxy)acetamido]-N-[(oxolan-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-[2-(2-nitrophenoxy)acetamido]-N-[(oxolan-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y070-1187 |
| Compound Name: | 2-[2-(2-nitrophenoxy)acetamido]-N-[(oxolan-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C22 H25 N3 O6 S |
| Smiles: | C1CCc2c(C1)c(C(NCC1CCCO1)=O)c(NC(COc1ccccc1[N+]([O-])=O)=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8457 |
| logD: | 2.1111 |
| logSw: | -3.6421 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.565 |
| InChI Key: | ZCPNCBNZFGHRDA-CQSZACIVSA-N |