2-(cyclopropylmethyl)-N-[(4-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-(cyclopropylmethyl)-N-[(4-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-(cyclopropylmethyl)-N-[(4-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: | S636-1897 |
| Compound Name: | 2-(cyclopropylmethyl)-N-[(4-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: | 371.44 |
| Molecular Formula: | C19 H25 N5 O3 |
| Smiles: | COc1ccc(CNC(N2CCC3=NN(CC4CC4)C(N3CC2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7614 |
| logD: | 1.7604 |
| logSw: | -2.0869 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.182 |
| InChI Key: | ISYAFDRAFBRAGQ-UHFFFAOYSA-N |