5-(4-methylanilino)-2-oxo-3-[3-(piperidin-1-yl)propyl]-3H-2lambda~5~-anthra[1,2-d][1,2,3]triazole-6,11-dione
Chemical Structure Depiction of
5-(4-methylanilino)-2-oxo-3-[3-(piperidin-1-yl)propyl]-3H-2lambda~5~-anthra[1,2-d][1,2,3]triazole-6,11-dione
5-(4-methylanilino)-2-oxo-3-[3-(piperidin-1-yl)propyl]-3H-2lambda~5~-anthra[1,2-d][1,2,3]triazole-6,11-dione
Compound characteristics
| Compound ID: | 8018-8817 |
| Compound Name: | 5-(4-methylanilino)-2-oxo-3-[3-(piperidin-1-yl)propyl]-3H-2lambda~5~-anthra[1,2-d][1,2,3]triazole-6,11-dione |
| Molecular Weight: | 495.58 |
| Molecular Formula: | C29 H29 N5 O3 |
| Smiles: | Cc1ccc(cc1)Nc1cc2c(c3C(c4ccccc4C(c13)=O)=O)n[n+](n2CCCN1CCCCC1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 5.5907 |
| logD: | 3.229 |
| logSw: | -5.3664 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.358 |
| InChI Key: | VUGDKRCMVSMJAG-UHFFFAOYSA-N |