N-[2-(1,3-benzoxazol-2-yl)phenyl]-4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)benzamide
Chemical Structure Depiction of
N-[2-(1,3-benzoxazol-2-yl)phenyl]-4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)benzamide
N-[2-(1,3-benzoxazol-2-yl)phenyl]-4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)benzamide
Compound characteristics
| Compound ID: | G856-0095 |
| Compound Name: | N-[2-(1,3-benzoxazol-2-yl)phenyl]-4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)benzamide |
| Molecular Weight: | 509.58 |
| Molecular Formula: | C29 H23 N3 O4 S |
| Smiles: | C1CN(Cc2ccccc12)S(c1ccc(cc1)C(Nc1ccccc1c1nc2ccccc2o1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6655 |
| logD: | 5.6652 |
| logSw: | -5.7558 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.815 |
| InChI Key: | TUGHUUXZZOIUCG-UHFFFAOYSA-N |