methyl 3-({[1-(3-ethoxypropyl)-5-(morpholine-4-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 3-({[1-(3-ethoxypropyl)-5-(morpholine-4-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}methyl)benzoate
methyl 3-({[1-(3-ethoxypropyl)-5-(morpholine-4-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | V003-3930 |
| Compound Name: | methyl 3-({[1-(3-ethoxypropyl)-5-(morpholine-4-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 533.67 |
| Molecular Formula: | C25 H31 N3 O6 S2 |
| Salt: | not_available |
| Smiles: | CCOCCCn1c2ccc(cc2nc1SCc1cccc(c1)C(=O)OC)S(N1CCOCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9706 |
| logD: | 3.9692 |
| logSw: | -4.0035 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 79.498 |
| InChI Key: | MGNAJRCKEJNVSK-UHFFFAOYSA-N |