4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | D440-0234 |
| Compound Name: | 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 360.37 |
| Molecular Formula: | C16 H20 N6 O4 |
| Smiles: | COc1cccc(c1)NC(N1CCCN(CC1)C(c1c(N)non1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2258 |
| logD: | 1.2258 |
| logSw: | -2.0542 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.123 |
| InChI Key: | IUYXXTMDSQHHOO-UHFFFAOYSA-N |