ethyl 2-{[5-(4-butoxybenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}pentanoate
Chemical Structure Depiction of
ethyl 2-{[5-(4-butoxybenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}pentanoate
ethyl 2-{[5-(4-butoxybenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}pentanoate
Compound characteristics
Compound ID: | V012-9315 |
Compound Name: | ethyl 2-{[5-(4-butoxybenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}pentanoate |
Molecular Weight: | 437.58 |
Molecular Formula: | C20 H27 N3 O4 S2 |
Salt: | not_available |
Smiles: | CCCCOc1ccc(cc1)C(Nc1nnc(SC(CCC)C(=O)OCC)s1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.1627 |
logD: | 6.1397 |
logSw: | -5.3743 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 74.407 |
InChI Key: | YOCPHTDWVDFRDP-INIZCTEOSA-N |