methyl 2-amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
methyl 2-amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 8006-2539 |
| Compound Name: | methyl 2-amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 333.77 |
| Molecular Formula: | C17 H16 Cl N O4 |
| Smiles: | COC(C1C(C2=C(CCCC2=O)OC=1N)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4453 |
| logD: | 2.4453 |
| logSw: | -3.3411 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.72 |
| InChI Key: | LXOSCEKXMYMLRW-CYBMUJFWSA-N |