2-{1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]piperidin-3-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
Chemical Structure Depiction of
2-{1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]piperidin-3-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
2-{1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]piperidin-3-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
Compound characteristics
| Compound ID: | P223-1139 |
| Compound Name: | 2-{1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]piperidin-3-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C22 H31 N5 O3 |
| Smiles: | Cc1cc(C(N2CCCC(C2)c2cc3C(NCCCn3n2)=O)=O)c(C)n1CCOC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8876 |
| logD: | 0.8876 |
| logSw: | -1.8486 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.86 |
| InChI Key: | PEANSYBKAWPCEX-KRWDZBQOSA-N |