N-{[4-(4-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide
Chemical Structure Depiction of
N-{[4-(4-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide
N-{[4-(4-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide
Compound characteristics
Compound ID: | 2515-5624 |
Compound Name: | N-{[4-(4-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide |
Molecular Weight: | 473.57 |
Molecular Formula: | C21 H23 N5 O4 S2 |
Smiles: | COc1ccc(cc1)N1C(CNC(c2ccc(cc2)S(N2CCCC2)(=O)=O)=O)=NNC1=S |
Stereo: | ACHIRAL |
logP: | 2.364 |
logD: | 1.5134 |
logSw: | -2.8059 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 91.135 |
InChI Key: | OXINFOCVQNVNLB-UHFFFAOYSA-N |