N-[3-(methoxymethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N'-(2-phenylethyl)urea
Chemical Structure Depiction of
N-[3-(methoxymethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N'-(2-phenylethyl)urea
N-[3-(methoxymethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N'-(2-phenylethyl)urea
Compound characteristics
| Compound ID: | S637-0812 |
| Compound Name: | N-[3-(methoxymethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N'-(2-phenylethyl)urea |
| Molecular Weight: | 343.43 |
| Molecular Formula: | C18 H25 N5 O2 |
| Smiles: | COCc1nnc2CCC(CCn12)NC(NCCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6648 |
| logD: | 0.6639 |
| logSw: | -1.6516 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.256 |
| InChI Key: | NXZROOZKZMLKOY-HNNXBMFYSA-N |