N-(2H-1,3-benzodioxol-5-yl)-2-[(4-{[(4-methoxyphenyl)methyl]amino}quinazolin-2-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(4-{[(4-methoxyphenyl)methyl]amino}quinazolin-2-yl)sulfanyl]butanamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(4-{[(4-methoxyphenyl)methyl]amino}quinazolin-2-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | K297-0527 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(4-{[(4-methoxyphenyl)methyl]amino}quinazolin-2-yl)sulfanyl]butanamide |
| Molecular Weight: | 502.59 |
| Molecular Formula: | C27 H26 N4 O4 S |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)Sc1nc(c2ccccc2n1)NCc1ccc(cc1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8719 |
| logD: | 5.8718 |
| logSw: | -5.7765 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.871 |
| InChI Key: | XVWGQIAKNYAXTE-DEOSSOPVSA-N |