methyl 2-{[3-(4-chlorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}-4,5-dimethoxybenzoate
Chemical Structure Depiction of
methyl 2-{[3-(4-chlorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}-4,5-dimethoxybenzoate
methyl 2-{[3-(4-chlorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}-4,5-dimethoxybenzoate
Compound characteristics
| Compound ID: | D429-0244 |
| Compound Name: | methyl 2-{[3-(4-chlorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}-4,5-dimethoxybenzoate |
| Molecular Weight: | 495.92 |
| Molecular Formula: | C26 H22 Cl N O7 |
| Smiles: | COC(c1cc(c(cc1NC(c1ccc2C(=O)OC(Cc2c1)c1ccc(cc1)[Cl])=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7644 |
| logD: | 2.6906 |
| logSw: | -4.996 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.619 |
| InChI Key: | MGKKCXRHXXTVPV-NRFANRHFSA-N |