3-(4-fluorophenyl)-N-(3-methoxypropyl)-5,6,7,8,9,10,12,13-octahydro-11H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundecine-11-carboxamide
Chemical Structure Depiction of
3-(4-fluorophenyl)-N-(3-methoxypropyl)-5,6,7,8,9,10,12,13-octahydro-11H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundecine-11-carboxamide
3-(4-fluorophenyl)-N-(3-methoxypropyl)-5,6,7,8,9,10,12,13-octahydro-11H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundecine-11-carboxamide
Compound characteristics
| Compound ID: | S774-0550 |
| Compound Name: | 3-(4-fluorophenyl)-N-(3-methoxypropyl)-5,6,7,8,9,10,12,13-octahydro-11H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundecine-11-carboxamide |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C21 H30 F N5 O2 |
| Smiles: | COCCCNC(N1CCCCCCn2c(CC1)nnc2c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9503 |
| logD: | 2.9502 |
| logSw: | -3.2413 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.317 |
| InChI Key: | KLWLGAUXNQWEDM-UHFFFAOYSA-N |