ethyl 2-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-(3-ethoxypropyl)-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-(3-ethoxypropyl)-1H-benzimidazole-5-carboxylate
ethyl 2-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-(3-ethoxypropyl)-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V004-3588 |
| Compound Name: | ethyl 2-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-(3-ethoxypropyl)-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 476.98 |
| Molecular Formula: | C23 H25 Cl N2 O5 S |
| Salt: | not_available |
| Smiles: | CCOCCCn1c2ccc(cc2nc1SCc1cc2c(cc1[Cl])OCO2)C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 6.0213 |
| logD: | 6.0199 |
| logSw: | -6.1415 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.574 |
| InChI Key: | UKMMEMHGZNHGKE-UHFFFAOYSA-N |