N~3~-(3-cyclopentylpropanoyl)-N~3~-[2-(3,4-dimethoxyphenyl)ethyl]-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(3-cyclopentylpropanoyl)-N~3~-[2-(3,4-dimethoxyphenyl)ethyl]-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-beta-alaninamide
N~3~-(3-cyclopentylpropanoyl)-N~3~-[2-(3,4-dimethoxyphenyl)ethyl]-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-beta-alaninamide
Compound characteristics
| Compound ID: | V024-4278 |
| Compound Name: | N~3~-(3-cyclopentylpropanoyl)-N~3~-[2-(3,4-dimethoxyphenyl)ethyl]-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-beta-alaninamide |
| Molecular Weight: | 566.72 |
| Molecular Formula: | C30 H38 N4 O5 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)c1nnc(NC(CCN(CCc2ccc(c(c2)OC)OC)C(CCC2CCCC2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.7337 |
| logD: | 4.7334 |
| logSw: | -4.5132 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.393 |
| InChI Key: | MUUCDJNBNYZPSG-UHFFFAOYSA-N |