2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-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-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylacetamide
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylacetamide
Compound characteristics
| Compound ID: | J031-2189 |
| Compound Name: | 2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylacetamide |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C17 H22 N4 O3 S |
| Smiles: | CCn1c(c2ccc3c(c2)OCCCO3)nnc1SCC(N(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4328 |
| logD: | 1.4327 |
| logSw: | -2.2113 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.864 |
| InChI Key: | KMBOTCBSRCKKGI-UHFFFAOYSA-N |