3-(4-acetyl-1,4-diazepan-1-yl)-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-(4-acetyl-1,4-diazepan-1-yl)-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
3-(4-acetyl-1,4-diazepan-1-yl)-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0322 |
| Compound Name: | 3-(4-acetyl-1,4-diazepan-1-yl)-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 375.49 |
| Molecular Formula: | C19 H25 N3 O3 S |
| Smiles: | CC1=C(c2ccc(C)c(C)c2)S(N=C1N1CCCN(CC1)C(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7725 |
| logD: | 2.7725 |
| logSw: | -3.0337 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.657 |
| InChI Key: | UXKGJSQXIFFIAC-UHFFFAOYSA-N |