2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)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-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
Compound characteristics
| Compound ID: | J031-2311 |
| Compound Name: | 2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C25 H26 N4 O5 S |
| Smiles: | C1COc2ccc(cc2OC1)c1nnc(n1C1CC1)SCC(Nc1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9306 |
| logD: | 2.9305 |
| logSw: | -3.4032 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.334 |
| InChI Key: | MJMXIRNDAGJTNG-UHFFFAOYSA-N |