3-({7-[(4-chlorophenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
Chemical Structure Depiction of
3-({7-[(4-chlorophenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
3-({7-[(4-chlorophenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
Compound characteristics
| Compound ID: | K784-6228 |
| Compound Name: | 3-({7-[(4-chlorophenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol |
| Molecular Weight: | 380.81 |
| Molecular Formula: | C15 H13 Cl N4 O4 S |
| Smiles: | C(CNc1cc(c2c(c1[N+]([O-])=O)non2)Sc1ccc(cc1)[Cl])CO |
| Stereo: | ACHIRAL |
| logP: | 4.0984 |
| logD: | 4.0984 |
| logSw: | -4.5964 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.912 |
| InChI Key: | XPOHYVXNSPVQGV-UHFFFAOYSA-N |