N-{[5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide
Chemical Structure Depiction of
N-{[5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide
N-{[5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide
Compound characteristics
| Compound ID: | A0062130 |
| Compound Name: | N-{[5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide |
| Molecular Weight: | 636.75 |
| Molecular Formula: | C30 H32 N6 O6 S2 |
| Smiles: | COc1ccc(cc1)NC(CSc1nnc(CNC(c2ccc(cc2)S(N2CCCC2)(=O)=O)=O)n1c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1198 |
| logD: | 3.1198 |
| logSw: | -3.82 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 120.473 |
| InChI Key: | YOWAUVFYYZZYEV-UHFFFAOYSA-N |