N-[(4-fluorophenyl)methyl]-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)methyl]-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)methyl]-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: | J031-1641 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-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: | 442.51 |
| Molecular Formula: | C22 H23 F N4 O3 S |
| Smiles: | Cc1cc2c(cc1c1nnc(n1C)SCC(NCc1ccc(cc1)F)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.5479 |
| logD: | 2.5479 |
| logSw: | -2.988 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.676 |
| InChI Key: | ITNMQQMBFDHXCD-UHFFFAOYSA-N |