N-[(4-fluorophenyl)methyl]-2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-5-(3-methylbutanamido)benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-5-(3-methylbutanamido)benzamide
N-[(4-fluorophenyl)methyl]-2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-5-(3-methylbutanamido)benzamide
Compound characteristics
| Compound ID: | V005-7787 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-5-(3-methylbutanamido)benzamide |
| Molecular Weight: | 544.67 |
| Molecular Formula: | C32 H37 F N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1ccc(c(c1)C(NCc1ccc(cc1)F)=O)N1CCCN(CC1)C(c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3692 |
| logD: | 5.369 |
| logSw: | -5.3335 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.74 |
| InChI Key: | HJOWUPCGVNKTIF-UHFFFAOYSA-N |