methyl 2-[(7-chloro-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]-4,5-dimethoxybenzoate
Chemical Structure Depiction of
methyl 2-[(7-chloro-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]-4,5-dimethoxybenzoate
methyl 2-[(7-chloro-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]-4,5-dimethoxybenzoate
Compound characteristics
| Compound ID: | IB04-0836 |
| Compound Name: | methyl 2-[(7-chloro-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]-4,5-dimethoxybenzoate |
| Molecular Weight: | 419.82 |
| Molecular Formula: | C20 H18 Cl N O7 |
| Smiles: | COC(c1cc(c(cc1NC(C1Cc2ccc(cc2C(=O)O1)[Cl])=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.24 |
| logD: | 2.63 |
| logSw: | -4.41 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 140.18 |
| InChI Key: | RVSRVYMYEQBOIA-QGZVFWFLSA-N |