N-(4-fluorophenyl)-2-{[4-methyl-5-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-2-{[4-methyl-5-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-fluorophenyl)-2-{[4-methyl-5-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J031-1609 |
| Compound Name: | N-(4-fluorophenyl)-2-{[4-methyl-5-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 428.48 |
| Molecular Formula: | C21 H21 F N4 O3 S |
| Smiles: | Cc1cc2c(cc1c1nnc(n1C)SCC(Nc1ccc(cc1)F)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.8666 |
| logD: | 2.8665 |
| logSw: | -3.3956 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.354 |
| InChI Key: | ORTNESSNPBALAQ-UHFFFAOYSA-N |