2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | J031-2270 |
| Compound Name: | 2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C24 H26 N4 O3 S |
| Smiles: | Cc1ccc(CNC(CSc2nnc(c3ccc4c(c3)OCCCO4)n2C2CC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5936 |
| logD: | 3.5936 |
| logSw: | -3.7286 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.502 |
| InChI Key: | KNQFPCPOVQKUEV-UHFFFAOYSA-N |