5-(3,4-dimethylphenyl)-4-methyl-3-[4-(propane-1-sulfonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
5-(3,4-dimethylphenyl)-4-methyl-3-[4-(propane-1-sulfonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
5-(3,4-dimethylphenyl)-4-methyl-3-[4-(propane-1-sulfonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | T380-0009 |
| Compound Name: | 5-(3,4-dimethylphenyl)-4-methyl-3-[4-(propane-1-sulfonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 439.59 |
| Molecular Formula: | C20 H29 N3 O4 S2 |
| Smiles: | CCCS(N1CCCN(CC1)C1C(C)=C(c2ccc(C)c(C)c2)S(N=1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1312 |
| logD: | 3.1312 |
| logSw: | -3.1233 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.146 |
| InChI Key: | ZSTVUCKOYVBUJI-UHFFFAOYSA-N |