N-[2-(azepan-1-yl)ethyl]-3-[(5-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-3-[(5-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
N-[2-(azepan-1-yl)ethyl]-3-[(5-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | L914-1039 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-3-[(5-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 419.87 |
| Molecular Formula: | C19 H22 Cl N5 O4 |
| Smiles: | C1CCCN(CC1)CCNC(c1nc(CN2C(=O)Oc3ccc(cc23)[Cl])no1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4137 |
| logD: | 0.8156 |
| logSw: | -3.508 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.575 |
| InChI Key: | TVWYDDYYWHEUFZ-UHFFFAOYSA-N |