N'-benzyl-N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methylurea
Chemical Structure Depiction of
N'-benzyl-N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methylurea
N'-benzyl-N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methylurea
Compound characteristics
| Compound ID: | S638-2743 |
| Compound Name: | N'-benzyl-N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methylurea |
| Molecular Weight: | 369.47 |
| Molecular Formula: | C20 H27 N5 O2 |
| Smiles: | CN(C1CCC2=NN(CC3CC3)C(N2CC1)=O)C(NCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4225 |
| logD: | 2.4165 |
| logSw: | -2.6 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.192 |
| InChI Key: | NQASJXNYXOYUFN-QGZVFWFLSA-N |