N~3~-(butan-2-yl)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(3-phenylpropanoyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(butan-2-yl)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(3-phenylpropanoyl)-beta-alaninamide
N~3~-(butan-2-yl)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(3-phenylpropanoyl)-beta-alaninamide
Compound characteristics
| Compound ID: | V025-3048 |
| Compound Name: | N~3~-(butan-2-yl)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(3-phenylpropanoyl)-beta-alaninamide |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C25 H30 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCC(C)N(CCC(Nc1nnc(c2cccc(c2)OC)s1)=O)C(CCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2496 |
| logD: | 5.2493 |
| logSw: | -5.0438 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.195 |
| InChI Key: | DFEPRDNRZRTRDS-SFHVURJKSA-N |