N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-6-(4-oxoquinazolin-3(4H)-yl)hexanamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-6-(4-oxoquinazolin-3(4H)-yl)hexanamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-6-(4-oxoquinazolin-3(4H)-yl)hexanamide
Compound characteristics
| Compound ID: | Y043-4444 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-6-(4-oxoquinazolin-3(4H)-yl)hexanamide |
| Molecular Weight: | 463.6 |
| Molecular Formula: | C25 H29 N5 O2 S |
| Smiles: | CSCC[C@@H](c1nc2ccccc2[nH]1)NC(CCCCCN1C=Nc2ccccc2C1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.6783 |
| logD: | 2.6776 |
| logSw: | -3.405 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.71 |
| InChI Key: | XURRWOQAMCMTFU-QFIPXVFZSA-N |