5-acetamido-N-benzyl-2-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-N-methylbenzamide
Chemical Structure Depiction of
5-acetamido-N-benzyl-2-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-N-methylbenzamide
5-acetamido-N-benzyl-2-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-N-methylbenzamide
Compound characteristics
| Compound ID: | V019-1023 |
| Compound Name: | 5-acetamido-N-benzyl-2-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-N-methylbenzamide |
| Molecular Weight: | 519.04 |
| Molecular Formula: | C29 H31 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | CC(Nc1ccc(c(c1)C(N(C)Cc1ccccc1)=O)N1CCCN(CC1)C(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.216 |
| logD: | 4.2159 |
| logSw: | -4.5549 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.59 |
| InChI Key: | SPMYWHCRXFSVML-UHFFFAOYSA-N |