7-[3-(3-methoxyphenyl)propanoyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
7-[3-(3-methoxyphenyl)propanoyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[3-(3-methoxyphenyl)propanoyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0152 |
| Compound Name: | 7-[3-(3-methoxyphenyl)propanoyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 316.36 |
| Molecular Formula: | C16 H20 N4 O3 |
| Smiles: | COc1cccc(CCC(N2CCC3=NNC(N3CC2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.4139 |
| logD: | 1.4075 |
| logSw: | -1.8958 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.59 |
| InChI Key: | MYCWJNCLKUSATB-UHFFFAOYSA-N |