2-({4-methyl-5-[(naphthalen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-1,3-benzothiazol-6-yl]acetamide
Chemical Structure Depiction of
2-({4-methyl-5-[(naphthalen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-1,3-benzothiazol-6-yl]acetamide
2-({4-methyl-5-[(naphthalen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-1,3-benzothiazol-6-yl]acetamide
Compound characteristics
| Compound ID: | 8009-2895 |
| Compound Name: | 2-({4-methyl-5-[(naphthalen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-1,3-benzothiazol-6-yl]acetamide |
| Molecular Weight: | 652.86 |
| Molecular Formula: | C34 H32 N6 O2 S3 |
| Smiles: | CC(C)c1ccc(cc1)NC(CSc1nc2ccc(cc2s1)NC(CSc1nnc(Cc2ccc3ccccc3c2)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.6615 |
| logD: | 7.6615 |
| logSw: | -6.5172 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.864 |
| InChI Key: | IBLWBVNDNGGYMA-UHFFFAOYSA-N |