N-cyclopropyl-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-cyclopropyl-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-cyclopropyl-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J031-2299 |
| Compound Name: | N-cyclopropyl-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | C1COc2ccc(cc2OC1)c1nnc(n1c1ccccc1)SCC(NC1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7625 |
| logD: | 2.7625 |
| logSw: | -3.2779 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.395 |
| InChI Key: | IRVSQASGDDBGCA-UHFFFAOYSA-N |