(1S)-3-[(2S)-2-(4-oxoquinazolin-3(4H)-yl)propanoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
(1S)-3-[(2S)-2-(4-oxoquinazolin-3(4H)-yl)propanoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
(1S)-3-[(2S)-2-(4-oxoquinazolin-3(4H)-yl)propanoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y043-5084 |
| Compound Name: | (1S)-3-[(2S)-2-(4-oxoquinazolin-3(4H)-yl)propanoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C22 H22 N4 O3 |
| Smiles: | C[C@@H](C(N1C[C@@H]2C[C@H](C1)CN1C2=CC=CC1=O)=O)N1C=Nc2ccccc2C1=O |
| Stereo: | ABSOLUTE |
| logP: | 1.2193 |
| logD: | 1.2193 |
| logSw: | -2.0623 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.464 |
| InChI Key: | NBSGQDFOHRBDDN-JYJNAYRXSA-N |