3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)quinazolin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-1951 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)quinazolin-4(3H)-one |
| Molecular Weight: | 544.63 |
| Molecular Formula: | C29 H28 N4 O5 S |
| Smiles: | COc1ccccc1N1CCN(CC1)C(CSC1=Nc2ccccc2C(N1Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9356 |
| logD: | 3.9355 |
| logSw: | -3.9492 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.869 |
| InChI Key: | MLRLTQBWDMCXCD-UHFFFAOYSA-N |