N-{3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-13(5H)-yl]propanoyl}-L-isoleucine
Chemical Structure Depiction of
N-{3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-13(5H)-yl]propanoyl}-L-isoleucine
N-{3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-13(5H)-yl]propanoyl}-L-isoleucine
Compound characteristics
| Compound ID: | D751-0313 |
| Compound Name: | N-{3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-13(5H)-yl]propanoyl}-L-isoleucine |
| Molecular Weight: | 488.59 |
| Molecular Formula: | C28 H32 N4 O4 |
| Smiles: | [H][C@@]12c3c(CCN2C(c2ccccc2N1C)=O)c1ccccc1n3CCC(N[C@H](C(O)=O)[C@H](C)CC)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.5915 |
| logD: | -0.9956 |
| logSw: | -3.0713 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.987 |
| InChI Key: | XQEGJZMFXXYINX-IEFSCDDCSA-N |