2-(cyclopropylmethyl)-7-[(5-methylthiophen-2-yl)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-[(5-methylthiophen-2-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(cyclopropylmethyl)-7-[(5-methylthiophen-2-yl)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: | S636-1747 |
| Compound Name: | 2-(cyclopropylmethyl)-7-[(5-methylthiophen-2-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 318.44 |
| Molecular Formula: | C16 H22 N4 O S |
| Smiles: | Cc1ccc(CN2CCC3=NN(CC4CC4)C(N3CC2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.8387 |
| logD: | 0.924 |
| logSw: | -2.9821 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.598 |
| InChI Key: | GLLHBIKJMUPXAS-UHFFFAOYSA-N |