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 |