N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
Chemical Structure Depiction of
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
Compound characteristics
Compound ID: | 8008-2502 |
Compound Name: | N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide |
Molecular Weight: | 695.69 |
Molecular Formula: | C42 H25 N5 O6 |
Smiles: | c1ccc2c(c1)nc(c1ccc(cc1)NC(c1ccc(cc1)N1C(c3ccc(cc3C1=O)C(Nc1ccc(cc1)c1nc3ccccc3o1)=O)=O)=O)o2 |
Stereo: | ACHIRAL |
logP: | 7.729 |
logD: | 7.7287 |
logSw: | -6.2519 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 108.683 |
InChI Key: | VSOWHDZRBONGPV-UHFFFAOYSA-N |