N-[3-(3-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[3-(3-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
N-[3-(3-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
Compound characteristics
Compound ID: | 2681-3676 |
Compound Name: | N-[3-(3-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide |
Molecular Weight: | 407.45 |
Molecular Formula: | C21 H17 N3 O4 S |
Smiles: | Cc1cccc(c1)NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1cccs1)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.3561 |
logD: | 4.329 |
logSw: | -4.4458 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 79.654 |
InChI Key: | LCUPIXMKBGZFKY-UHFFFAOYSA-N |