2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]acetamide
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]acetamide
Compound characteristics
| Compound ID: | J031-0006 |
| Compound Name: | 2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]acetamide |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C24 H26 N4 O4 S |
| Smiles: | CC1Cc2cc(CNC(CSc3nnc(c4ccc5c(c4)OCCCO5)n3C)=O)ccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8747 |
| logD: | 2.8747 |
| logSw: | -3.3113 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.078 |
| InChI Key: | MFQMMTMKEQZNIW-OAHLLOKOSA-N |