2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylacetamide
Chemical Structure Depiction of
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylacetamide
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylacetamide
Compound characteristics
| Compound ID: | J031-2300 |
| Compound Name: | 2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylacetamide |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C21 H22 N4 O3 S |
| Smiles: | CN(C)C(CSc1nnc(c2ccc3c(c2)OCCCO3)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2693 |
| logD: | 2.2693 |
| logSw: | -2.7749 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.611 |
| InChI Key: | BAVLDDKWPQCQKS-UHFFFAOYSA-N |