5-(4-ethylphenyl)-3-{4-[(1H-imidazol-1-yl)acetyl]-1,4-diazepan-1-yl}-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
5-(4-ethylphenyl)-3-{4-[(1H-imidazol-1-yl)acetyl]-1,4-diazepan-1-yl}-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
5-(4-ethylphenyl)-3-{4-[(1H-imidazol-1-yl)acetyl]-1,4-diazepan-1-yl}-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0450 |
| Compound Name: | 5-(4-ethylphenyl)-3-{4-[(1H-imidazol-1-yl)acetyl]-1,4-diazepan-1-yl}-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C22 H27 N5 O3 S |
| Smiles: | CCc1ccc(cc1)C1=C(C)C(=NS1(=O)=O)N1CCCN(CC1)C(Cn1ccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0387 |
| logD: | 1.8749 |
| logSw: | -2.3723 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.212 |
| InChI Key: | GLDFJFFDPUJCBW-UHFFFAOYSA-N |