N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | D519-0434 |
| Compound Name: | N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide |
| Molecular Weight: | 412.87 |
| Molecular Formula: | C22 H21 Cl N2 O4 |
| Smiles: | [H]N(C(c1c(C)c2cc(ccc2o1)[Cl])=O)c1ccc2c(c1)N(CCCC)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0741 |
| logD: | 5.0658 |
| logSw: | -5.1081 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.935 |
| InChI Key: | BBZGYZUSOLCYHC-UHFFFAOYSA-N |