4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide
Chemical Structure Depiction of
4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide
4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide
Compound characteristics
| Compound ID: | S517-0495 |
| Compound Name: | 4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide |
| Molecular Weight: | 397.48 |
| Molecular Formula: | C21 H27 N5 O3 |
| Smiles: | C1CN(CCC1Cc1nncn1CC1CC1)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6422 |
| logD: | 1.6419 |
| logSw: | -2.2564 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.115 |
| InChI Key: | AGGMBUNWEQJQSR-UHFFFAOYSA-N |