N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl}butanamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | K297-0443 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl}butanamide |
| Molecular Weight: | 464.59 |
| Molecular Formula: | C25 H28 N4 O3 S |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)Sc1nc(c2ccccc2n1)NC1CCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3925 |
| logD: | 6.3924 |
| logSw: | -5.8266 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.053 |
| InChI Key: | SRUFFLRZEZGYOP-QFIPXVFZSA-N |