2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)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-(4-methoxyphenyl)acetamide
2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | J031-1721 |
| Compound Name: | 2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C23 H24 N4 O4 S |
| Smiles: | COc1ccc(cc1)NC(CSc1nnc(c2ccc3c(c2)OCCCO3)n1C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4713 |
| logD: | 3.4713 |
| logSw: | -3.838 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.724 |
| InChI Key: | NAPBESPGADVDRS-UHFFFAOYSA-N |