4-[(4-bromophenyl)sulfanyl]-N-(butan-2-yl)-3-nitrobenzamide
Chemical Structure Depiction of
4-[(4-bromophenyl)sulfanyl]-N-(butan-2-yl)-3-nitrobenzamide
4-[(4-bromophenyl)sulfanyl]-N-(butan-2-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-5411 |
| Compound Name: | 4-[(4-bromophenyl)sulfanyl]-N-(butan-2-yl)-3-nitrobenzamide |
| Molecular Weight: | 409.3 |
| Molecular Formula: | C17 H17 Br N2 O3 S |
| Smiles: | CCC(C)NC(c1ccc(c(c1)[N+]([O-])=O)Sc1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1534 |
| logD: | 5.1534 |
| logSw: | -4.9961 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.174 |
| InChI Key: | HRIPFBLIUTZCOO-NSHDSACASA-N |