N-(4-methoxyphenyl)-5-[(2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-2-oxoethoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-5-[(2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-2-oxoethoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
N-(4-methoxyphenyl)-5-[(2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-2-oxoethoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
Compound ID: | F500-0151 |
Compound Name: | N-(4-methoxyphenyl)-5-[(2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-2-oxoethoxy)methyl]-1,3,4-thiadiazole-2-carboxamide |
Molecular Weight: | 462.57 |
Molecular Formula: | C21 H30 N6 O4 S |
Smiles: | CN1CCN(CCCNC(COCc2nnc(C(Nc3ccc(cc3)OC)=O)s2)=O)CC1 |
Stereo: | ACHIRAL |
logP: | 0.1398 |
logD: | -1.0648 |
logSw: | -2.1537 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 94.808 |
InChI Key: | DMQQWBRQBFHVRC-UHFFFAOYSA-N |