N-{1-(2H-1,3-benzodioxol-5-yl)-3-[4-(octyloxy)anilino]-3-oxoprop-1-en-2-yl}-2-bromobenzamide
Chemical Structure Depiction of
N-{1-(2H-1,3-benzodioxol-5-yl)-3-[4-(octyloxy)anilino]-3-oxoprop-1-en-2-yl}-2-bromobenzamide
N-{1-(2H-1,3-benzodioxol-5-yl)-3-[4-(octyloxy)anilino]-3-oxoprop-1-en-2-yl}-2-bromobenzamide
Compound characteristics
| Compound ID: | 2535-3097 |
| Compound Name: | N-{1-(2H-1,3-benzodioxol-5-yl)-3-[4-(octyloxy)anilino]-3-oxoprop-1-en-2-yl}-2-bromobenzamide |
| Molecular Weight: | 593.52 |
| Molecular Formula: | C31 H33 Br N2 O5 |
| Smiles: | CCCCCCCCOc1ccc(cc1)NC(/C(=C/c1ccc2c(c1)OCO2)NC(c1ccccc1[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.9515 |
| logD: | 7.5934 |
| logSw: | -5.8007 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.787 |
| InChI Key: | RTZQWLIKJKVEMP-UHFFFAOYSA-N |