ethyl 4-({5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonyl}amino)benzoate
ethyl 4-({5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonyl}amino)benzoate
Compound characteristics
Compound ID: | E912-0302 |
Compound Name: | ethyl 4-({5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonyl}amino)benzoate |
Molecular Weight: | 495.51 |
Molecular Formula: | C24 H21 N3 O7 S |
Smiles: | CCOC(c1ccc(cc1)NS(c1cc(CN2C(c3cccnc3C2=O)=O)ccc1OC)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.4713 |
logD: | 2.0081 |
logSw: | -3.0035 |
Hydrogen bond acceptors count: | 13 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 108.434 |
InChI Key: | CIMCFQYFUCNXDT-UHFFFAOYSA-N |