1-(4-{(5S)-5-[(pyridin-4-yl)oxy]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carbonyl}-1,4-diazepan-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{(5S)-5-[(pyridin-4-yl)oxy]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carbonyl}-1,4-diazepan-1-yl)ethan-1-one
1-(4-{(5S)-5-[(pyridin-4-yl)oxy]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carbonyl}-1,4-diazepan-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | SB69-0550 |
| Compound Name: | 1-(4-{(5S)-5-[(pyridin-4-yl)oxy]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carbonyl}-1,4-diazepan-1-yl)ethan-1-one |
| Molecular Weight: | 369.42 |
| Molecular Formula: | C19 H23 N5 O3 |
| Smiles: | CC(N1CCCN(CC1)C(c1cc2C[C@@H](Cn2n1)Oc1ccncc1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.0189 |
| logD: | -0.0189 |
| logSw: | -0.8291 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.132 |
| InChI Key: | OBIULMUUCSSNSQ-QGZVFWFLSA-N |