1-(4-methoxyphenyl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)cyclopropane-1-carboxamide
Chemical Structure Depiction of
1-(4-methoxyphenyl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)cyclopropane-1-carboxamide
1-(4-methoxyphenyl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)cyclopropane-1-carboxamide
Compound characteristics
| Compound ID: | S638-0153 |
| Compound Name: | 1-(4-methoxyphenyl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)cyclopropane-1-carboxamide |
| Molecular Weight: | 342.4 |
| Molecular Formula: | C18 H22 N4 O3 |
| Smiles: | COc1ccc(cc1)C1(CC1)C(NC1CCC2=NNC(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8469 |
| logD: | 1.8405 |
| logSw: | -2.144 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.859 |
| InChI Key: | RAOXTQYYCNWDDI-CYBMUJFWSA-N |