methyl N-[2-(thiophen-2-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]phenylalaninate
Chemical Structure Depiction of
methyl N-[2-(thiophen-2-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]phenylalaninate
methyl N-[2-(thiophen-2-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]phenylalaninate
Compound characteristics
| Compound ID: | P221-1080 |
| Compound Name: | methyl N-[2-(thiophen-2-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]phenylalaninate |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C22 H24 N4 O3 S |
| Smiles: | COC(C(Cc1ccccc1)NC(N1CCCn2c(C1)cc(c1cccs1)n2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.187 |
| logD: | 3.187 |
| logSw: | -3.4418 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.383 |
| InChI Key: | RTYHASKYWNRNQN-IBGZPJMESA-N |