4-methyl-5-phenyl-3-[4-(2-phenylpropanoyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
4-methyl-5-phenyl-3-[4-(2-phenylpropanoyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
4-methyl-5-phenyl-3-[4-(2-phenylpropanoyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0118 |
| Compound Name: | 4-methyl-5-phenyl-3-[4-(2-phenylpropanoyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Smiles: | CC(C(N1CCCN(CC1)C1C(C)=C(c2ccccc2)S(N=1)(=O)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8301 |
| logD: | 3.8301 |
| logSw: | -3.8664 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.917 |
| InChI Key: | BEFAVGWSHHTFGW-GOSISDBHSA-N |