methyl 4-chloro-2-[(1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-[(1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]benzoate
methyl 4-chloro-2-[(1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | D731-0168 |
| Compound Name: | methyl 4-chloro-2-[(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(c1ccc(cc1NC(C1Cc2ccccc2C(=O)O1)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3056 |
| logD: | 2.2065 |
| logSw: | -3.691 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.63 |
| InChI Key: | WKEPRUQHQRFUFM-HNNXBMFYSA-N |