O-ethyl S-(2-{[4-(1H-indol-3-yl)-1,3-thiazol-2-yl](prop-2-en-1-yl)amino}-2-oxoethyl) carbonodithioate
Chemical Structure Depiction of
O-ethyl S-(2-{[4-(1H-indol-3-yl)-1,3-thiazol-2-yl](prop-2-en-1-yl)amino}-2-oxoethyl) carbonodithioate
O-ethyl S-(2-{[4-(1H-indol-3-yl)-1,3-thiazol-2-yl](prop-2-en-1-yl)amino}-2-oxoethyl) carbonodithioate
Compound characteristics
Compound ID: | D231-0034 |
Compound Name: | O-ethyl S-(2-{[4-(1H-indol-3-yl)-1,3-thiazol-2-yl](prop-2-en-1-yl)amino}-2-oxoethyl) carbonodithioate |
Molecular Weight: | 417.57 |
Molecular Formula: | C19 H19 N3 O2 S3 |
Smiles: | CCOC(=S)SCC(N(CC=C)c1nc(cs1)c1c[nH]c2ccccc12)=O |
Stereo: | ACHIRAL |
logP: | 5.1566 |
logD: | 5.1566 |
logSw: | -5.0835 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 42.406 |
InChI Key: | YYFCNPZSWOGCCL-UHFFFAOYSA-N |