N-benzyl-2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-N-methyl-5-(4-methylbenzamido)benzamide
Chemical Structure Depiction of
N-benzyl-2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-N-methyl-5-(4-methylbenzamido)benzamide
N-benzyl-2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-N-methyl-5-(4-methylbenzamido)benzamide
Compound characteristics
| Compound ID: | V026-9244 |
| Compound Name: | N-benzyl-2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-N-methyl-5-(4-methylbenzamido)benzamide |
| Molecular Weight: | 578.69 |
| Molecular Formula: | C35 H35 F N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C(Nc1ccc(c(c1)C(N(C)Cc1ccccc1)=O)N1CCCN(CC1)C(c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7132 |
| logD: | 5.713 |
| logSw: | -5.4038 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.419 |
| InChI Key: | DBLQUJHTHDBMJC-UHFFFAOYSA-N |