2-{[(3-bromophenyl)methyl]sulfanyl}-1-(cyclopropylmethyl)-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole
Chemical Structure Depiction of
2-{[(3-bromophenyl)methyl]sulfanyl}-1-(cyclopropylmethyl)-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole
2-{[(3-bromophenyl)methyl]sulfanyl}-1-(cyclopropylmethyl)-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole
Compound characteristics
| Compound ID: | V012-2604 |
| Compound Name: | 2-{[(3-bromophenyl)methyl]sulfanyl}-1-(cyclopropylmethyl)-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole |
| Molecular Weight: | 506.48 |
| Molecular Formula: | C22 H24 Br N3 O2 S2 |
| Salt: | not_available |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)nc(n2CC1CC1)SCc1cccc(c1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7822 |
| logD: | 5.7817 |
| logSw: | -5.9581 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.077 |
| InChI Key: | KABABJHYNANGCR-UHFFFAOYSA-N |