methyl 2-{2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y040-1249 |
| Compound Name: | methyl 2-{2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 453.51 |
| Molecular Formula: | C24 H23 N O6 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(COc1ccc2C3CCCC=3C(=O)Oc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0166 |
| logD: | 1.8347 |
| logSw: | -4.4325 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.712 |
| InChI Key: | UNOSCVIUGNJYOJ-UHFFFAOYSA-N |