4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(3,4-dimethoxyphenyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(3,4-dimethoxyphenyl)-1,4-diazepane-1-carboxamide
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(3,4-dimethoxyphenyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | D440-0217 |
| Compound Name: | 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(3,4-dimethoxyphenyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 390.4 |
| Molecular Formula: | C17 H22 N6 O5 |
| Smiles: | COc1ccc(cc1OC)NC(N1CCCN(CC1)C(c1c(N)non1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6943 |
| logD: | 0.6942 |
| logSw: | -1.8919 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.84 |
| InChI Key: | HTIWCZZUIURREQ-UHFFFAOYSA-N |