5-(4-methylanilino)-3-(2-methylpropyl)-1H-2lambda~4~-anthra[1,2-c][1,2,5]thiadiazole-2,6,11(3H)-trione
Chemical Structure Depiction of
5-(4-methylanilino)-3-(2-methylpropyl)-1H-2lambda~4~-anthra[1,2-c][1,2,5]thiadiazole-2,6,11(3H)-trione
5-(4-methylanilino)-3-(2-methylpropyl)-1H-2lambda~4~-anthra[1,2-c][1,2,5]thiadiazole-2,6,11(3H)-trione
Compound characteristics
| Compound ID: | 8018-9944 |
| Compound Name: | 5-(4-methylanilino)-3-(2-methylpropyl)-1H-2lambda~4~-anthra[1,2-c][1,2,5]thiadiazole-2,6,11(3H)-trione |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C25 H23 N3 O3 S |
| Smiles: | CC(C)CN1c2cc(c3C(c4ccccc4C(c3c2NS1=O)=O)=O)Nc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.4477 |
| logD: | 6.4477 |
| logSw: | -5.7107 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.273 |
| InChI Key: | PCTCUJLWGULDBH-UHFFFAOYSA-N |