methyl 2-[(7-chloro-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(7-chloro-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]benzoate
methyl 2-[(7-chloro-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | D731-0562 |
| Compound Name: | methyl 2-[(7-chloro-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]benzoate |
| Molecular Weight: | 359.76 |
| Molecular Formula: | C18 H14 Cl N O5 |
| Smiles: | COC(c1ccccc1NC(C1Cc2ccc(cc2C(=O)O1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5617 |
| logD: | 3.5 |
| logSw: | -3.8407 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.63 |
| InChI Key: | WRUAMTFSAFZUEJ-OAHLLOKOSA-N |