5-(4-fluorophenyl)-4-methyl-3-[4-(3-methylthiophene-2-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
5-(4-fluorophenyl)-4-methyl-3-[4-(3-methylthiophene-2-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
5-(4-fluorophenyl)-4-methyl-3-[4-(3-methylthiophene-2-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
Compound ID: | P533-0177 |
Compound Name: | 5-(4-fluorophenyl)-4-methyl-3-[4-(3-methylthiophene-2-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione |
Molecular Weight: | 447.55 |
Molecular Formula: | C21 H22 F N3 O3 S2 |
Smiles: | CC1=C(c2ccc(cc2)F)S(N=C1N1CCCN(CC1)C(c1c(C)ccs1)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.5318 |
logD: | 3.5318 |
logSw: | -3.625 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 60.936 |
InChI Key: | UMPOIQGNUJIIML-UHFFFAOYSA-N |