3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-4(3H)-one
3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-3869 |
| Compound Name: | 3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 528.63 |
| Molecular Formula: | C29 H28 N4 O4 S |
| Smiles: | C1CN(CCN1C(CSC1=Nc2ccccc2C(N1CC1COc2ccccc2O1)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7209 |
| logD: | 3.7209 |
| logSw: | -4.2247 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.103 |
| InChI Key: | AEGDPKVHWSJHRP-QFIPXVFZSA-N |