4-[(4-bromophenyl)sulfanyl]-3-nitro-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-[(4-bromophenyl)sulfanyl]-3-nitro-N-[(oxolan-2-yl)methyl]benzamide
4-[(4-bromophenyl)sulfanyl]-3-nitro-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K781-5394 |
| Compound Name: | 4-[(4-bromophenyl)sulfanyl]-3-nitro-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 437.31 |
| Molecular Formula: | C18 H17 Br N2 O4 S |
| Smiles: | C1CC(CNC(c2ccc(c(c2)[N+]([O-])=O)Sc2ccc(cc2)[Br])=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4242 |
| logD: | 4.4242 |
| logSw: | -4.4773 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.115 |
| InChI Key: | HDJWDNBAWJSSDI-CQSZACIVSA-N |