N-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2-dihydroacenaphthylen-1-yl}-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2-dihydroacenaphthylen-1-yl}-4-methylbenzene-1-sulfonamide
N-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2-dihydroacenaphthylen-1-yl}-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 5227-6185 |
| Compound Name: | N-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2-dihydroacenaphthylen-1-yl}-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C21 H18 N4 O2 S3 |
| Smiles: | Cc1ccc(cc1)S(NC1C(c2cccc3cccc1c23)Sc1nnc(N)s1)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9807 |
| logD: | 4.9787 |
| logSw: | -5.4272 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.93 |
| InChI Key: | BXNNOWWWMMFQCK-UHFFFAOYSA-N |