6-[(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)sulfanyl]-9H-purine
Chemical Structure Depiction of
6-[(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)sulfanyl]-9H-purine
6-[(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)sulfanyl]-9H-purine
Compound characteristics
| Compound ID: | 8014-1212 |
| Compound Name: | 6-[(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)sulfanyl]-9H-purine |
| Molecular Weight: | 410.23 |
| Molecular Formula: | C11 H4 Br N7 O2 S2 |
| Smiles: | c1c(c(c2c(c1[Br])nsn2)Sc1c2c(ncn1)[nH]cn2)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5134 |
| logD: | 2.5132 |
| logSw: | -2.6609 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.338 |
| InChI Key: | BICNRUFKCWJSQG-UHFFFAOYSA-N |