N-(5-{[(2-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenylbutanamide
Chemical Structure Depiction of
N-(5-{[(2-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenylbutanamide
N-(5-{[(2-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenylbutanamide
Compound characteristics
Compound ID: | V010-3208 |
Compound Name: | N-(5-{[(2-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenylbutanamide |
Molecular Weight: | 383.53 |
Molecular Formula: | C20 H21 N3 O S2 |
Smiles: | CCC(C(Nc1nnc(SCc2ccccc2C)s1)=O)c1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 6.2356 |
logD: | 6.2186 |
logSw: | -5.5119 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 45.964 |
InChI Key: | VBEQRZVOPCYCER-QGZVFWFLSA-N |