N-(1,3-benzothiazol-2-yl)-2-{4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-2-{4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide
N-(1,3-benzothiazol-2-yl)-2-{4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | F512-1646 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-2-{4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C21 H20 N4 O3 S |
| Smiles: | Cc1cccc(CN2CCN(CC(Nc3nc4ccccc4s3)=O)C(C2=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.257 |
| logD: | 3.257 |
| logSw: | -3.2928 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.194 |
| InChI Key: | BTVFGTMUQPFKLK-UHFFFAOYSA-N |