4-chloro-N-(2-{4-[4-(2-fluorobenzoyl)piperazin-1-yl]anilino}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
4-chloro-N-(2-{4-[4-(2-fluorobenzoyl)piperazin-1-yl]anilino}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide
4-chloro-N-(2-{4-[4-(2-fluorobenzoyl)piperazin-1-yl]anilino}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | V005-0558 |
| Compound Name: | 4-chloro-N-(2-{4-[4-(2-fluorobenzoyl)piperazin-1-yl]anilino}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 535.02 |
| Molecular Formula: | C29 H28 Cl F N4 O3 |
| Salt: | not_available |
| Smiles: | C=CCN(CC(Nc1ccc(cc1)N1CCN(CC1)C(c1ccccc1F)=O)=O)C(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3741 |
| logD: | 4.3741 |
| logSw: | -4.7755 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.486 |
| InChI Key: | NFYYCCFIUJRLQL-UHFFFAOYSA-N |