N'-[(4-methoxyphenyl)methyl]-N-methyl-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)urea
Chemical Structure Depiction of
N'-[(4-methoxyphenyl)methyl]-N-methyl-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)urea
N'-[(4-methoxyphenyl)methyl]-N-methyl-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)urea
Compound characteristics
| Compound ID: | S637-3394 |
| Compound Name: | N'-[(4-methoxyphenyl)methyl]-N-methyl-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)urea |
| Molecular Weight: | 343.43 |
| Molecular Formula: | C18 H25 N5 O2 |
| Smiles: | Cc1nnc2CCC(CCn12)N(C)C(NCc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0003 |
| logD: | 0.9978 |
| logSw: | -1.889 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.008 |
| InChI Key: | UCRABTPIYWLWAJ-HNNXBMFYSA-N |