N-[(furan-2-yl)methyl]-N'-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)urea
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-N'-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)urea
N-[(furan-2-yl)methyl]-N'-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)urea
Compound characteristics
| Compound ID: | S638-0682 |
| Compound Name: | N-[(furan-2-yl)methyl]-N'-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)urea |
| Molecular Weight: | 305.33 |
| Molecular Formula: | C14 H19 N5 O3 |
| Smiles: | CN1C(N2CCC(CCC2=N1)NC(NCc1ccco1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8979 |
| logD: | 0.8978 |
| logSw: | -1.4048 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.696 |
| InChI Key: | GDYXYPJQBQLIED-SNVBAGLBSA-N |