N-[2-(azepan-1-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
N-[2-(azepan-1-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
Compound characteristics
| Compound ID: | G706-2186 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C24 H29 N3 O3 |
| Smiles: | COc1ccc(Cc2nc3ccc(cc3o2)C(NCCN2CCCCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.108 |
| logD: | 3.1312 |
| logSw: | -4.1007 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.826 |
| InChI Key: | ZMLQIIPOKQUMAC-UHFFFAOYSA-N |