N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N'-(3-methoxypropyl)-N-methylurea
Chemical Structure Depiction of
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N'-(3-methoxypropyl)-N-methylurea
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N'-(3-methoxypropyl)-N-methylurea
Compound characteristics
| Compound ID: | S638-2766 |
| Compound Name: | N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N'-(3-methoxypropyl)-N-methylurea |
| Molecular Weight: | 351.45 |
| Molecular Formula: | C17 H29 N5 O3 |
| Smiles: | CN(C1CCC2=NN(CC3CC3)C(N2CC1)=O)C(NCCCOC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5979 |
| logD: | 1.5919 |
| logSw: | -1.7825 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.647 |
| InChI Key: | JXEVMODYSIMWCO-CQSZACIVSA-N |