N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J031-1384 |
| Compound Name: | N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 492.62 |
| Molecular Formula: | C25 H24 N4 O3 S2 |
| Smiles: | CC(c1ccc2c(c1)OCCCO2)NC(CSc1nnc(c2cccs2)n1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0318 |
| logD: | 4.0317 |
| logSw: | -4.0155 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.52 |
| InChI Key: | KUPLGSCPURZQIB-KRWDZBQOSA-N |