N-{6-[4-(4-bromobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-phenylprop-2-enamide
Chemical Structure Depiction of
N-{6-[4-(4-bromobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-phenylprop-2-enamide
N-{6-[4-(4-bromobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-phenylprop-2-enamide
Compound characteristics
| Compound ID: | V023-9125 |
| Compound Name: | N-{6-[4-(4-bromobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-phenylprop-2-enamide |
| Molecular Weight: | 505.41 |
| Molecular Formula: | C26 H25 Br N4 O2 |
| Smiles: | C1CN(CCN(C1)c1ccc(cn1)NC(/C=C/c1ccccc1)=O)C(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4546 |
| logD: | 5.4545 |
| logSw: | -5.6527 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.957 |
| InChI Key: | YWRPCLTZBTXJRB-VGOFMYFVSA-N |