N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-6-chloro-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-6-chloro-4-oxo-4H-1-benzopyran-2-carboxamide
N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-6-chloro-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D519-0446 |
| Compound Name: | N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-6-chloro-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 426.86 |
| Molecular Formula: | C22 H19 Cl N2 O5 |
| Smiles: | [H]N(C(C1=CC(c2cc(ccc2O1)[Cl])=O)=O)c1ccc2c(c1)N(CCCC)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1134 |
| logD: | 4.1041 |
| logSw: | -4.573 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.228 |
| InChI Key: | KBHAKDYYMJLXAI-UHFFFAOYSA-N |