4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(3-methylbutanamido)phenyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
Chemical Structure Depiction of
4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(3-methylbutanamido)phenyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(3-methylbutanamido)phenyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V013-9030 |
| Compound Name: | 4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(3-methylbutanamido)phenyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide |
| Molecular Weight: | 561.66 |
| Molecular Formula: | C31 H36 F N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1ccc(c(c1)C(NCc1ccc(cc1)F)=O)N1CCN(CC1)C(Nc1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0203 |
| logD: | 5.02 |
| logSw: | -4.6245 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.773 |
| InChI Key: | GOTWTAMGPFCBOK-UHFFFAOYSA-N |