[(2-{[4-(1H-indol-3-yl)-1,3-thiazol-2-yl](prop-2-en-1-yl)amino}-2-oxoethyl)sulfanyl]acetic acid
Chemical Structure Depiction of
[(2-{[4-(1H-indol-3-yl)-1,3-thiazol-2-yl](prop-2-en-1-yl)amino}-2-oxoethyl)sulfanyl]acetic acid
[(2-{[4-(1H-indol-3-yl)-1,3-thiazol-2-yl](prop-2-en-1-yl)amino}-2-oxoethyl)sulfanyl]acetic acid
Compound characteristics
Compound ID: | D231-0033 |
Compound Name: | [(2-{[4-(1H-indol-3-yl)-1,3-thiazol-2-yl](prop-2-en-1-yl)amino}-2-oxoethyl)sulfanyl]acetic acid |
Molecular Weight: | 387.48 |
Molecular Formula: | C18 H17 N3 O3 S2 |
Smiles: | C=CCN(C(CSCC(O)=O)=O)c1nc(cs1)c1c[nH]c2ccccc12 |
Stereo: | ACHIRAL |
logP: | 3.5513 |
logD: | 0.1828 |
logSw: | -3.7035 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 63.387 |
InChI Key: | LGHBLKXCDFIWAS-UHFFFAOYSA-N |