7-chloro-9-methoxy-N-(2-oxo-2H-1-benzopyran-7-yl)-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-chloro-9-methoxy-N-(2-oxo-2H-1-benzopyran-7-yl)-1-benzoxepine-4-carboxamide
7-chloro-9-methoxy-N-(2-oxo-2H-1-benzopyran-7-yl)-1-benzoxepine-4-carboxamide
Compound characteristics
Compound ID: | D443-0657 |
Compound Name: | 7-chloro-9-methoxy-N-(2-oxo-2H-1-benzopyran-7-yl)-1-benzoxepine-4-carboxamide |
Molecular Weight: | 395.8 |
Molecular Formula: | C21 H14 Cl N O5 |
Smiles: | COc1cc(cc2C=C(C=COc12)C(Nc1ccc2C=CC(=O)Oc2c1)=O)[Cl] |
Stereo: | ACHIRAL |
logP: | 4.4324 |
logD: | 4.432 |
logSw: | -4.6826 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.676 |
InChI Key: | NUMIHWHUDLJLND-UHFFFAOYSA-N |