3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-(morpholin-4-yl)quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-(morpholin-4-yl)quinazolin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-(morpholin-4-yl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-6934 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-(morpholin-4-yl)quinazolin-4(3H)-one |
| Molecular Weight: | 550.03 |
| Molecular Formula: | C28 H24 Cl N3 O5 S |
| Smiles: | C1COCCN1c1ccc2c(c1)C(N(Cc1ccc3c(c1)OCO3)C(=N2)SCC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.615 |
| logD: | 4.615 |
| logSw: | -4.7932 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.494 |
| InChI Key: | NDYGBCACBRJURQ-UHFFFAOYSA-N |