N-(3-chloro-4-methoxyphenyl)-2-{4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-{4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide
N-(3-chloro-4-methoxyphenyl)-2-{4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | F512-1694 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-{4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide |
| Molecular Weight: | 415.88 |
| Molecular Formula: | C21 H22 Cl N3 O4 |
| Smiles: | Cc1cccc(CN2CCN(CC(Nc3ccc(c(c3)[Cl])OC)=O)C(C2=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.998 |
| logD: | 2.9977 |
| logSw: | -3.3492 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.063 |
| InChI Key: | KGRFJXQPCUDVPF-UHFFFAOYSA-N |