N-(2-{5-[chloro(difluoro)methoxy]-2-methyl-1H-indol-3-yl}ethyl)-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(2-{5-[chloro(difluoro)methoxy]-2-methyl-1H-indol-3-yl}ethyl)-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
N-(2-{5-[chloro(difluoro)methoxy]-2-methyl-1H-indol-3-yl}ethyl)-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
Compound ID: | 8014-1161 |
Compound Name: | N-(2-{5-[chloro(difluoro)methoxy]-2-methyl-1H-indol-3-yl}ethyl)-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide |
Molecular Weight: | 491.83 |
Molecular Formula: | C22 H16 Cl F2 N3 O6 |
Smiles: | Cc1c(CCNC(C2=Cc3cc(ccc3OC2=O)[N+]([O-])=O)=O)c2cc(ccc2[nH]1)OC(F)(F)[Cl] |
Stereo: | ACHIRAL |
logP: | 3.9771 |
logD: | 3.9771 |
logSw: | -4.6511 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 95.22 |
InChI Key: | JDGBTDXOPAHYFA-UHFFFAOYSA-N |