N-(2,4-dimethylphenyl)-2-{[5-(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-2-{[5-(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,4-dimethylphenyl)-2-{[5-(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | J031-0269 |
Compound Name: | N-(2,4-dimethylphenyl)-2-{[5-(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
Molecular Weight: | 454.55 |
Molecular Formula: | C23 H26 N4 O4 S |
Smiles: | Cc1ccc(c(C)c1)NC(CSc1nnc(c2cc3c(cc2OC)OCCCO3)n1C)=O |
Stereo: | ACHIRAL |
logP: | 3.0472 |
logD: | 3.0472 |
logSw: | -3.3005 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.287 |
InChI Key: | LOXBRZWFEBFEAF-UHFFFAOYSA-N |