2-(cyclopropylmethyl)-7-[(4-fluoro-3-methoxyphenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
2-(cyclopropylmethyl)-7-[(4-fluoro-3-methoxyphenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(cyclopropylmethyl)-7-[(4-fluoro-3-methoxyphenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-1833 |
| Compound Name: | 2-(cyclopropylmethyl)-7-[(4-fluoro-3-methoxyphenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 346.4 |
| Molecular Formula: | C18 H23 F N4 O2 |
| Smiles: | COc1cc(CN2CCC3=NN(CC4CC4)C(N3CC2)=O)ccc1F |
| Stereo: | ACHIRAL |
| logP: | 2.502 |
| logD: | 0.3764 |
| logSw: | -2.5485 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.21 |
| InChI Key: | VRFZKZABEBMQNN-UHFFFAOYSA-N |