N-[3-(azepan-1-yl)propyl]-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
N-[3-(azepan-1-yl)propyl]-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Compound characteristics
| Compound ID: | F389-0154 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide |
| Molecular Weight: | 453.97 |
| Molecular Formula: | C25 H28 Cl N3 O3 |
| Smiles: | C1CCCN(CC1)CCCNC(c1ccc2c(c1)NC(/C(=C\c1ccc(cc1)[Cl])O2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4056 |
| logD: | 1.8349 |
| logSw: | -4.8716 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.376 |
| InChI Key: | OISIUNVPFTYNAT-UHFFFAOYSA-N |