ethyl 5-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamamido]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamamido]-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamamido]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
Compound ID: | D039-0091 |
Compound Name: | ethyl 5-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamamido]-2,4-dimethyl-1H-pyrrole-3-carboxylate |
Molecular Weight: | 365.45 |
Molecular Formula: | C16 H23 N5 O3 S |
Smiles: | CCCCc1nnc(NC(Nc2c(C)c(C(=O)OCC)c(C)[nH]2)=O)s1 |
Stereo: | ACHIRAL |
logP: | 3.705 |
logD: | 3.7038 |
logSw: | -3.943 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 88.186 |
InChI Key: | AHVHOQJJGKAHMD-UHFFFAOYSA-N |