5-(3,4-dimethylphenyl)-4-methyl-3-[4-(thiophene-2-carbonyl)-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-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
5-(3,4-dimethylphenyl)-4-methyl-3-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0301 |
| Compound Name: | 5-(3,4-dimethylphenyl)-4-methyl-3-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 443.59 |
| Molecular Formula: | C22 H25 N3 O3 S2 |
| Smiles: | CC1=C(c2ccc(C)c(C)c2)S(N=C1N1CCCN(CC1)C(c1cccs1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.058 |
| logD: | 4.058 |
| logSw: | -4.0455 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.936 |
| InChI Key: | LVOPBDGQYYQFCT-UHFFFAOYSA-N |