N-benzyl-N-(2-{4-[4-(2-fluorobenzoyl)piperazin-1-yl]anilino}-2-oxoethyl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-benzyl-N-(2-{4-[4-(2-fluorobenzoyl)piperazin-1-yl]anilino}-2-oxoethyl)thiophene-2-carboxamide
N-benzyl-N-(2-{4-[4-(2-fluorobenzoyl)piperazin-1-yl]anilino}-2-oxoethyl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V026-8555 |
| Compound Name: | N-benzyl-N-(2-{4-[4-(2-fluorobenzoyl)piperazin-1-yl]anilino}-2-oxoethyl)thiophene-2-carboxamide |
| Molecular Weight: | 556.66 |
| Molecular Formula: | C31 H29 F N4 O3 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C(c1ccccc1F)=O)c1ccc(cc1)NC(CN(Cc1ccccc1)C(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7434 |
| logD: | 4.7433 |
| logSw: | -4.6524 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.254 |
| InChI Key: | XMZQGWGQKNWSNI-UHFFFAOYSA-N |