ethyl 4-[(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-[(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
ethyl 4-[(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
Compound characteristics
| Compound ID: | V004-1133 |
| Compound Name: | ethyl 4-[(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate |
| Molecular Weight: | 379.5 |
| Molecular Formula: | C17 H21 N3 O3 S2 |
| Salt: | not_available |
| Smiles: | CCOC(CCC(Nc1nnc(SCc2cc(C)cc(C)c2)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4508 |
| logD: | 4.4481 |
| logSw: | -4.1757 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.181 |
| InChI Key: | YBDPXJANXNYNRN-UHFFFAOYSA-N |