N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J031-1555 |
| Compound Name: | N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Smiles: | Cc1ccc2c(c1)nc([nH]2)SCC(NCc1cc2c(cc1OC)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5488 |
| logD: | 2.546 |
| logSw: | -2.8208 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.236 |
| InChI Key: | RWZHNGMPCZZZNK-UHFFFAOYSA-N |