3-(4-benzoyl-1,4-diazepan-1-yl)-5-(4-ethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-(4-benzoyl-1,4-diazepan-1-yl)-5-(4-ethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
3-(4-benzoyl-1,4-diazepan-1-yl)-5-(4-ethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0449 |
| Compound Name: | 3-(4-benzoyl-1,4-diazepan-1-yl)-5-(4-ethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Smiles: | CCc1ccc(cc1)C1=C(C)C(=NS1(=O)=O)N1CCCN(CC1)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8261 |
| logD: | 3.8261 |
| logSw: | -3.8172 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.917 |
| InChI Key: | OOAITNZQBRFMGM-UHFFFAOYSA-N |