ethyl 4-[(5-{[(4-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-[(5-{[(4-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
ethyl 4-[(5-{[(4-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
Compound characteristics
| Compound ID: | V002-8596 |
| Compound Name: | ethyl 4-[(5-{[(4-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate |
| Molecular Weight: | 376.45 |
| Molecular Formula: | C16 H16 N4 O3 S2 |
| Salt: | not_available |
| Smiles: | CCOC(CCC(Nc1nnc(SCc2ccc(C#N)cc2)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5536 |
| logD: | 2.5508 |
| logSw: | -2.7898 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.237 |
| InChI Key: | ZIVPOKPOYGIGRP-UHFFFAOYSA-N |