2-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
2-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
2-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S636-1428 |
| Compound Name: | 2-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 375.43 |
| Molecular Formula: | C18 H25 N5 O4 |
| Smiles: | COCCN1C(N2CCN(CCC2=N1)C(NCc1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8854 |
| logD: | 0.8854 |
| logSw: | -1.8136 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.251 |
| InChI Key: | IFPNJKMQXANSOV-UHFFFAOYSA-N |