2-(cyclopropylmethyl)-7-[(4-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-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-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: | CM4193-3237 |
| Compound Name: | 2-(cyclopropylmethyl)-7-[(4-methoxyphenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 328.41 |
| Molecular Formula: | C18 H24 N4 O2 |
| Smiles: | COc1ccc(CN2CCC3=NN(CC4CC4)C(N3CC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4303 |
| logD: | 1.5561 |
| logSw: | -2.3725 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.123 |
| InChI Key: | PJXCXWJIAVNUMN-UHFFFAOYSA-N |