N-{1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}-3-methylbenzamide
Chemical Structure Depiction of
N-{1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}-3-methylbenzamide
N-{1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}-3-methylbenzamide
Compound characteristics
| Compound ID: | V027-7885 |
| Compound Name: | N-{1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}-3-methylbenzamide |
| Molecular Weight: | 498.42 |
| Molecular Formula: | C25 H28 Br N3 O3 |
| Smiles: | Cc1cccc(c1)C(NC(C1CCN(CC1)C(c1cccc(c1)[Br])=O)C(NCC=C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5795 |
| logD: | 3.5795 |
| logSw: | -3.6676 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.179 |
| InChI Key: | MQBWNBNNDJTVLP-QFIPXVFZSA-N |