2-(cyclopropylmethyl)-7-[(2,3-dimethoxyphenyl)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-[(2,3-dimethoxyphenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(cyclopropylmethyl)-7-[(2,3-dimethoxyphenyl)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: | S636-1739 |
| Compound Name: | 2-(cyclopropylmethyl)-7-[(2,3-dimethoxyphenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 358.44 |
| Molecular Formula: | C19 H26 N4 O3 |
| Smiles: | COc1cccc(CN2CCC3=NN(CC4CC4)C(N3CC2)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 2.4736 |
| logD: | -0.072 |
| logSw: | -2.4311 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.927 |
| InChI Key: | CHXJZDNVYVQGHN-UHFFFAOYSA-N |