N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-[(4-methoxyphenyl)carbamamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-[(4-methoxyphenyl)carbamamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-[(4-methoxyphenyl)carbamamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | G856-9848 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-[(4-methoxyphenyl)carbamamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 473.53 |
| Molecular Formula: | C20 H19 N5 O5 S2 |
| Smiles: | COc1ccc(cc1)NC(Nc1nnc(SCC(NCc2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9519 |
| logD: | 3.9517 |
| logSw: | -4.1001 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.307 |
| InChI Key: | SBLNXTVTNZZRNG-UHFFFAOYSA-N |