N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide
Chemical Structure Depiction of
N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide
N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide
Compound characteristics
| Compound ID: | V026-1901 |
| Compound Name: | N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide |
| Molecular Weight: | 405.62 |
| Molecular Formula: | C21 H31 N3 O S2 |
| Salt: | not_available |
| Smiles: | CCCCC(CC)C(Nc1nnc(SCc2ccc(cc2)C(C)(C)C)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1465 |
| logD: | 7.1401 |
| logSw: | -5.6298 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.236 |
| InChI Key: | XORXJPGBLXUBJM-INIZCTEOSA-N |