N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
Chemical Structure Depiction of
N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
Compound characteristics
Compound ID: | V011-6568 |
Compound Name: | N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide |
Molecular Weight: | 411.59 |
Molecular Formula: | C22 H25 N3 O S2 |
Smiles: | CC(C)(C)c1ccc(CSc2nnc(NC(CCc3ccccc3)=O)s2)cc1 |
Stereo: | ACHIRAL |
logP: | 6.2829 |
logD: | 6.277 |
logSw: | -5.5586 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 45.751 |
InChI Key: | LWVPNQSYGOELQG-UHFFFAOYSA-N |