N-(3-chloro-4-methoxyphenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide
N-(3-chloro-4-methoxyphenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide
Compound characteristics
Compound ID: | E786-2004 |
Compound Name: | N-(3-chloro-4-methoxyphenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide |
Molecular Weight: | 463.92 |
Molecular Formula: | C19 H14 Cl N3 O5 S2 |
Smiles: | COc1ccc(cc1[Cl])NS(c1ccc(CN2C(c3cccnc3C2=O)=O)s1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.5466 |
logD: | 2.2511 |
logSw: | -3.4581 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 88.699 |
InChI Key: | LJIDNRRNGBSHDJ-UHFFFAOYSA-N |