N-[4-(benzylamino)-2-oxo-2H-1-benzopyran-3-yl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide
Chemical Structure Depiction of
N-[4-(benzylamino)-2-oxo-2H-1-benzopyran-3-yl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide
N-[4-(benzylamino)-2-oxo-2H-1-benzopyran-3-yl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide
Compound characteristics
| Compound ID: | L150-0090 |
| Compound Name: | N-[4-(benzylamino)-2-oxo-2H-1-benzopyran-3-yl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide |
| Molecular Weight: | 501.54 |
| Molecular Formula: | C31 H23 N3 O4 |
| Smiles: | Cc1ccc(cc1)c1c2cc(ccc2no1)C(NC1=C(c2ccccc2OC1=O)NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6571 |
| logD: | 5.3702 |
| logSw: | -5.6007 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.367 |
| InChI Key: | MXYSINXWHQKOQV-UHFFFAOYSA-N |