4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | D440-0211 |
| Compound Name: | 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 378.82 |
| Molecular Formula: | C16 H19 Cl N6 O3 |
| Smiles: | Cc1ccc(cc1[Cl])NC(N1CCCN(CC1)C(c1c(N)non1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5496 |
| logD: | 2.5495 |
| logSw: | -3.3389 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.58 |
| InChI Key: | QPRVARAEORGDGB-UHFFFAOYSA-N |