N-benzyl-N-methyl-2-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-5-(2-methylpropanamido)benzamide
Chemical Structure Depiction of
N-benzyl-N-methyl-2-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-5-(2-methylpropanamido)benzamide
N-benzyl-N-methyl-2-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-5-(2-methylpropanamido)benzamide
Compound characteristics
| Compound ID: | V027-7164 |
| Compound Name: | N-benzyl-N-methyl-2-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-5-(2-methylpropanamido)benzamide |
| Molecular Weight: | 492.66 |
| Molecular Formula: | C29 H40 N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CC(N1CCCN(CC1)c1ccc(cc1C(N(C)Cc1ccccc1)=O)NC(C(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5524 |
| logD: | 4.552 |
| logSw: | -4.2629 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.435 |
| InChI Key: | ZGDQYYNVAQBYKN-UHFFFAOYSA-N |