N-(3-chloro-4-methylphenyl)-2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-chloro-4-methylphenyl)-2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J031-2257 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 470.98 |
| Molecular Formula: | C23 H23 Cl N4 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSc1nnc(c2ccc3c(c2)OCCCO3)n1C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8791 |
| logD: | 4.879 |
| logSw: | -5.0037 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.18 |
| InChI Key: | FOHWDRJSEBRXNC-UHFFFAOYSA-N |