N-[3-(5-chloro-2-methoxyanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[3-(5-chloro-2-methoxyanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
N-[3-(5-chloro-2-methoxyanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | 2681-3686 |
| Compound Name: | N-[3-(5-chloro-2-methoxyanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide |
| Molecular Weight: | 457.89 |
| Molecular Formula: | C21 H16 Cl N3 O5 S |
| Smiles: | COc1ccc(cc1NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1cccs1)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4473 |
| logD: | 3.8656 |
| logSw: | -4.7886 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.587 |
| InChI Key: | YRPKUTYGJJUBQQ-UHFFFAOYSA-N |