2-{[(4-bromophenyl)methyl]sulfanyl}-1-(propan-2-yl)-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole
Chemical Structure Depiction of
2-{[(4-bromophenyl)methyl]sulfanyl}-1-(propan-2-yl)-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole
2-{[(4-bromophenyl)methyl]sulfanyl}-1-(propan-2-yl)-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole
Compound characteristics
| Compound ID: | V003-0495 |
| Compound Name: | 2-{[(4-bromophenyl)methyl]sulfanyl}-1-(propan-2-yl)-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole |
| Molecular Weight: | 494.47 |
| Molecular Formula: | C21 H24 Br N3 O2 S2 |
| Salt: | not_available |
| Smiles: | CC(C)n1c2ccc(cc2nc1SCc1ccc(cc1)[Br])S(N1CCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2814 |
| logD: | 5.2804 |
| logSw: | -5.2052 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.901 |
| InChI Key: | SRJCFAVXROQMST-UHFFFAOYSA-N |