N-[3-(azepan-1-yl)propyl]-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1,2,4-oxadiazole-5-carboxamide
N-[3-(azepan-1-yl)propyl]-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | M338-0234 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 413.48 |
| Molecular Formula: | C21 H27 N5 O4 |
| Smiles: | CN1C(COc2cc(ccc12)c1nc(C(NCCCN2CCCCCC2)=O)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.979 |
| logD: | -0.5917 |
| logSw: | -2.5598 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.351 |
| InChI Key: | XSVHTRJHPDOKCQ-UHFFFAOYSA-N |