2-{[(6-chloro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-N,N-diethyl-1-[(furan-2-yl)methyl]-1H-benzimidazole-5-sulfonamide
Chemical Structure Depiction of
2-{[(6-chloro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-N,N-diethyl-1-[(furan-2-yl)methyl]-1H-benzimidazole-5-sulfonamide
2-{[(6-chloro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-N,N-diethyl-1-[(furan-2-yl)methyl]-1H-benzimidazole-5-sulfonamide
Compound characteristics
| Compound ID: | V008-0184 |
| Compound Name: | 2-{[(6-chloro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-N,N-diethyl-1-[(furan-2-yl)methyl]-1H-benzimidazole-5-sulfonamide |
| Molecular Weight: | 548.08 |
| Molecular Formula: | C25 H26 Cl N3 O5 S2 |
| Salt: | not_available |
| Smiles: | CCN(CC)S(c1ccc2c(c1)nc(n2Cc1ccco1)SCc1cc(cc2COCOc12)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6473 |
| logD: | 5.6389 |
| logSw: | -6.0088 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 66.212 |
| InChI Key: | TUKVLYLFMVUQEY-UHFFFAOYSA-N |