propyl 2-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-7-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propyl 2-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-7-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propyl 2-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-7-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y505-2751 |
| Compound Name: | propyl 2-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-7-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C19 H21 N5 O3 S |
| Smiles: | CCCOC(c1c2CCCCc2sc1NC(c1cc(C)nc2ncnn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0623 |
| logD: | -0.5081 |
| logSw: | -3.2139 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.654 |
| InChI Key: | BOSQJROBHIAWCQ-UHFFFAOYSA-N |