N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(4-fluoroanilino)quinazolin-2-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(4-fluoroanilino)quinazolin-2-yl]sulfanyl}butanamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(4-fluoroanilino)quinazolin-2-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | K297-0569 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(4-fluoroanilino)quinazolin-2-yl]sulfanyl}butanamide |
| Molecular Weight: | 476.53 |
| Molecular Formula: | C25 H21 F N4 O3 S |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)Sc1nc(c2ccccc2n1)Nc1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3489 |
| logD: | 6.3488 |
| logSw: | -5.788 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.006 |
| InChI Key: | MKBLMSNUFSNXME-QFIPXVFZSA-N |