5-(4-chlorophenyl)-3-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
5-(4-chlorophenyl)-3-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
5-(4-chlorophenyl)-3-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0017 |
| Compound Name: | 5-(4-chlorophenyl)-3-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 437.99 |
| Molecular Formula: | C21 H28 Cl N3 O3 S |
| Smiles: | CC1=C(c2ccc(cc2)[Cl])S(N=C1N1CCCN(CC1)C(CC(C)(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.072 |
| logD: | 4.072 |
| logSw: | -4.4332 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.662 |
| InChI Key: | DQLPOOSUGSKJAU-UHFFFAOYSA-N |