N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | D519-0465 |
| Compound Name: | N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C20 H19 N3 O4 S |
| Smiles: | [H]N(C(c1cc(c2cccs2)on1)=O)c1ccc2c(c1)N(CCCC)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8729 |
| logD: | 3.8726 |
| logSw: | -3.8416 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.963 |
| InChI Key: | MFLDCXPLMUWCKG-UHFFFAOYSA-N |