3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-13(5H)-yl]-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
Chemical Structure Depiction of
3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-13(5H)-yl]-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-13(5H)-yl]-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
Compound characteristics
| Compound ID: | D751-0276 |
| Compound Name: | 3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-13(5H)-yl]-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide |
| Molecular Weight: | 500.62 |
| Molecular Formula: | C27 H28 N6 O2 S |
| Smiles: | [H][C@@]12c3c(CCN2C(c2ccccc2N1C)=O)c1ccccc1n3CCC(Nc1nnc(C(C)C)s1)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.5314 |
| logD: | 4.321 |
| logSw: | -4.2144 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.178 |
| InChI Key: | FHLUBVXWXQEQKX-RUZDIDTESA-N |