N-[(5-{[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]naphthalene-1-carboxamide
Chemical Structure Depiction of
N-[(5-{[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]naphthalene-1-carboxamide
N-[(5-{[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]naphthalene-1-carboxamide
Compound characteristics
| Compound ID: | K400-06390 |
| Compound Name: | N-[(5-{[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]naphthalene-1-carboxamide |
| Molecular Weight: | 521.64 |
| Molecular Formula: | C30 H27 N5 O2 S |
| Smiles: | Cc1ccc(C)c(c1)NC(CSc1nnc(CNC(c2cccc3ccccc23)=O)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7631 |
| logD: | 4.763 |
| logSw: | -5.3065 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.554 |
| InChI Key: | CXNXZMISIIXKGE-UHFFFAOYSA-N |