2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Compound characteristics
Compound ID: | J031-1714 |
Compound Name: | 2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide |
Molecular Weight: | 436.53 |
Molecular Formula: | C23 H24 N4 O3 S |
Smiles: | Cc1cccc(c1)NC(CSc1nnc(c2ccc3c(c2)OCCCO3)n1C1CC1)=O |
Stereo: | ACHIRAL |
logP: | 3.8489 |
logD: | 3.8489 |
logSw: | -3.8864 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.18 |
InChI Key: | XTHJEVFBAYKXMV-UHFFFAOYSA-N |