5-(4-chlorophenyl)-4-methyl-3-[4-(3-methylpentanoyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
5-(4-chlorophenyl)-4-methyl-3-[4-(3-methylpentanoyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
5-(4-chlorophenyl)-4-methyl-3-[4-(3-methylpentanoyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0021 |
| Compound Name: | 5-(4-chlorophenyl)-4-methyl-3-[4-(3-methylpentanoyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 437.99 |
| Molecular Formula: | C21 H28 Cl N3 O3 S |
| Smiles: | CCC(C)CC(N1CCCN(CC1)C1C(C)=C(c2ccc(cc2)[Cl])S(N=1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1006 |
| logD: | 4.1006 |
| logSw: | -4.4553 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.662 |
| InChI Key: | XJFLRWDFFIYUHX-HNNXBMFYSA-N |