benzyl 4-{5-[(2,6-dimethylphenyl)carbamamido]pyridin-2-yl}-1,4-diazepane-1-carboxylate
Chemical Structure Depiction of
benzyl 4-{5-[(2,6-dimethylphenyl)carbamamido]pyridin-2-yl}-1,4-diazepane-1-carboxylate
benzyl 4-{5-[(2,6-dimethylphenyl)carbamamido]pyridin-2-yl}-1,4-diazepane-1-carboxylate
Compound characteristics
| Compound ID: | V024-4153 |
| Compound Name: | benzyl 4-{5-[(2,6-dimethylphenyl)carbamamido]pyridin-2-yl}-1,4-diazepane-1-carboxylate |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C27 H31 N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1cccc(C)c1NC(Nc1ccc(nc1)N1CCCN(CC1)C(=O)OCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8301 |
| logD: | 5.8195 |
| logSw: | -5.305 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.414 |
| InChI Key: | IEDZGLHRDSHGHX-UHFFFAOYSA-N |