N-benzyl-2-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-N-methyl-5-(2-methylpropanamido)benzamide
Chemical Structure Depiction of
N-benzyl-2-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-N-methyl-5-(2-methylpropanamido)benzamide
N-benzyl-2-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-N-methyl-5-(2-methylpropanamido)benzamide
Compound characteristics
| Compound ID: | V024-4991 |
| Compound Name: | N-benzyl-2-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-N-methyl-5-(2-methylpropanamido)benzamide |
| Molecular Weight: | 547.1 |
| Molecular Formula: | C31 H35 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)C(Nc1ccc(c(c1)C(N(C)Cc1ccccc1)=O)N1CCCN(CC1)C(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1861 |
| logD: | 5.186 |
| logSw: | -5.4829 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.69 |
| InChI Key: | IAEVGRGUOJWAFJ-UHFFFAOYSA-N |