(4-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)(pyridin-2-yl)methanone
Chemical Structure Depiction of
(4-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)(pyridin-2-yl)methanone
(4-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)(pyridin-2-yl)methanone
Compound characteristics
| Compound ID: | 8017-3949 |
| Compound Name: | (4-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)(pyridin-2-yl)methanone |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C25 H23 N5 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1C)Sc1ccc(cc1[N+]([O-])=O)C(c1ccccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2436 |
| logD: | 6.2436 |
| logSw: | -5.5054 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.646 |
| InChI Key: | VUGKRRKDUBDMPH-UHFFFAOYSA-N |