3-(2-{[2-(3-bromoanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)-N-butylbenzamide
Chemical Structure Depiction of
3-(2-{[2-(3-bromoanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)-N-butylbenzamide
3-(2-{[2-(3-bromoanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)-N-butylbenzamide
Compound characteristics
| Compound ID: | F985-1018 |
| Compound Name: | 3-(2-{[2-(3-bromoanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)-N-butylbenzamide |
| Molecular Weight: | 487.42 |
| Molecular Formula: | C22 H23 Br N4 O2 S |
| Smiles: | CCCCNC(c1cccc(c1)n1ccnc1SCC(Nc1cccc(c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6057 |
| logD: | 4.6052 |
| logSw: | -4.335 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.193 |
| InChI Key: | MTDVQSJFWQDYPC-UHFFFAOYSA-N |