3-[4-(2-ethylbutanoyl)-1,4-diazepan-1-yl]-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-[4-(2-ethylbutanoyl)-1,4-diazepan-1-yl]-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
3-[4-(2-ethylbutanoyl)-1,4-diazepan-1-yl]-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0167 |
| Compound Name: | 3-[4-(2-ethylbutanoyl)-1,4-diazepan-1-yl]-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 421.53 |
| Molecular Formula: | C21 H28 F N3 O3 S |
| Smiles: | CCC(CC)C(N1CCCN(CC1)C1C(C)=C(c2ccc(cc2)F)S(N=1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5822 |
| logD: | 3.5822 |
| logSw: | -3.5119 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.189 |
| InChI Key: | LDRREAGGVPJZRI-UHFFFAOYSA-N |