N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-methyl-2H-tetrazol-2-yl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-methyl-2H-tetrazol-2-yl)adamantane-1-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-methyl-2H-tetrazol-2-yl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | C301-3505 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-methyl-2H-tetrazol-2-yl)adamantane-1-carboxamide |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C21 H25 N5 O3 |
| Smiles: | Cc1nnn(C23CC4CC(CC(C4)(C3)C(NCc3ccc4c(c3)OCO4)=O)C2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.0481 |
| logD: | 3.0481 |
| logSw: | -3.252 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.976 |
| InChI Key: | XNEGYNRUWLLOPD-UHFFFAOYSA-N |