3-[4-(3-methoxypropanoyl)-1,4-diazepan-1-yl]-4-methyl-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-[4-(3-methoxypropanoyl)-1,4-diazepan-1-yl]-4-methyl-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione
3-[4-(3-methoxypropanoyl)-1,4-diazepan-1-yl]-4-methyl-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0364 |
| Compound Name: | 3-[4-(3-methoxypropanoyl)-1,4-diazepan-1-yl]-4-methyl-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 433.57 |
| Molecular Formula: | C22 H31 N3 O4 S |
| Smiles: | CC(C)c1ccc(cc1)C1=C(C)C(=NS1(=O)=O)N1CCCN(CC1)C(CCOC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8119 |
| logD: | 2.8119 |
| logSw: | -3.2758 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.004 |
| InChI Key: | WBOCEVQYHHQUQF-UHFFFAOYSA-N |