N-{4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl}-N~2~-(4-methylbenzene-1-sulfonyl)-N~2~-(prop-2-en-1-yl)glycinamide
Chemical Structure Depiction of
N-{4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl}-N~2~-(4-methylbenzene-1-sulfonyl)-N~2~-(prop-2-en-1-yl)glycinamide
N-{4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl}-N~2~-(4-methylbenzene-1-sulfonyl)-N~2~-(prop-2-en-1-yl)glycinamide
Compound characteristics
| Compound ID: | V005-5949 |
| Compound Name: | N-{4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl}-N~2~-(4-methylbenzene-1-sulfonyl)-N~2~-(prop-2-en-1-yl)glycinamide |
| Molecular Weight: | 550.65 |
| Molecular Formula: | C29 H31 F N4 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)S(N(CC=C)CC(Nc1ccc(cc1)N1CCN(CC1)C(c1ccccc1F)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4586 |
| logD: | 4.4585 |
| logSw: | -4.2439 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.65 |
| InChI Key: | CEAQQLPXCTUYGQ-UHFFFAOYSA-N |