6-[(7-chloro-4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-9H-purine
Chemical Structure Depiction of
6-[(7-chloro-4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-9H-purine
6-[(7-chloro-4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-9H-purine
Compound characteristics
| Compound ID: | 8012-2422 |
| Compound Name: | 6-[(7-chloro-4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-9H-purine |
| Molecular Weight: | 365.78 |
| Molecular Formula: | C11 H4 Cl N7 O2 S2 |
| Smiles: | c1c(c(c2c(c1[Cl])nsn2)[N+]([O-])=O)Sc1c2c(ncn1)[nH]cn2 |
| Stereo: | ACHIRAL |
| logP: | 2.629 |
| logD: | 2.6289 |
| logSw: | -3.5142 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.037 |
| InChI Key: | VHCUAJHGLOQJRH-UHFFFAOYSA-N |