ethyl 4-({5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)benzoate
Chemical Structure Depiction of
ethyl 4-({5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)benzoate
ethyl 4-({5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)benzoate
Compound characteristics
Compound ID: | E002-1804 |
Compound Name: | ethyl 4-({5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)benzoate |
Molecular Weight: | 419.54 |
Molecular Formula: | C20 H29 N5 O3 S |
Smiles: | CCOC(c1ccc(cc1)NC(Nc1nnc(N(CC(C)C)CC(C)C)s1)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.9793 |
logD: | 5.9793 |
logSw: | -5.5241 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 79.942 |
InChI Key: | ZVFOOLBNARVBOJ-UHFFFAOYSA-N |