methyl 2-[(1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D136-0104 |
| Compound Name: | methyl 2-[(1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C26 H23 N O5 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(c1ccc2C(=O)OC(Cc2c1)c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.312 |
| logD: | 1.006 |
| logSw: | -5.4741 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.771 |
| InChI Key: | XUQGFGLHPHXINQ-HXUWFJFHSA-N |