N-benzyl-2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-N-methyl-5-(2-methylpropanamido)benzamide
Chemical Structure Depiction of
N-benzyl-2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-N-methyl-5-(2-methylpropanamido)benzamide
N-benzyl-2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-N-methyl-5-(2-methylpropanamido)benzamide
Compound characteristics
| Compound ID: | V006-0727 |
| Compound Name: | N-benzyl-2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-N-methyl-5-(2-methylpropanamido)benzamide |
| Molecular Weight: | 476.62 |
| Molecular Formula: | C28 H36 N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)C(Nc1ccc(c(c1)C(N(C)Cc1ccccc1)=O)N1CCCN(CC1)C(C1CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0317 |
| logD: | 4.0311 |
| logSw: | -4.1726 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.214 |
| InChI Key: | PALLYRFMUJWAPK-UHFFFAOYSA-N |