5-(4-ethylphenyl)-3-[4-(3-methoxypropanoyl)-1,4-diazepan-1-yl]-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
5-(4-ethylphenyl)-3-[4-(3-methoxypropanoyl)-1,4-diazepan-1-yl]-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
5-(4-ethylphenyl)-3-[4-(3-methoxypropanoyl)-1,4-diazepan-1-yl]-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0424 |
| Compound Name: | 5-(4-ethylphenyl)-3-[4-(3-methoxypropanoyl)-1,4-diazepan-1-yl]-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C21 H29 N3 O4 S |
| Smiles: | CCc1ccc(cc1)C1=C(C)C(=NS1(=O)=O)N1CCCN(CC1)C(CCOC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4044 |
| logD: | 2.4044 |
| logSw: | -2.4276 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.004 |
| InChI Key: | IIESQVGTAZWYPO-UHFFFAOYSA-N |