N,N-diethyl-5-{2-[(3-methoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-amine
Chemical Structure Depiction of
N,N-diethyl-5-{2-[(3-methoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-amine
N,N-diethyl-5-{2-[(3-methoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | E958-1039 |
| Compound Name: | N,N-diethyl-5-{2-[(3-methoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-amine |
| Molecular Weight: | 357.48 |
| Molecular Formula: | C18 H23 N5 O S |
| Smiles: | CCN(CC)c1nnc(n2cccc2CNc2cccc(c2)OC)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0807 |
| logD: | 4.0806 |
| logSw: | -4.2324 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.416 |
| InChI Key: | UUAAUPIMZWCPTP-UHFFFAOYSA-N |