N-[3-(2-methoxy-4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[3-(2-methoxy-4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
N-[3-(2-methoxy-4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | 2681-3651 |
| Compound Name: | N-[3-(2-methoxy-4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide |
| Molecular Weight: | 468.44 |
| Molecular Formula: | C21 H16 N4 O7 S |
| Smiles: | COc1cc(ccc1NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1cccs1)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0099 |
| logD: | 2.4941 |
| logSw: | -4.199 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.968 |
| InChI Key: | UBMRQSAHSMDAIH-UHFFFAOYSA-N |