3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-6898 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 532.57 |
| Molecular Formula: | C27 H24 N4 O6 S |
| Smiles: | C1COCCN1c1ccc2c(c1)C(N(Cc1ccc3c(c1)OCO3)C(=N2)SCc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3574 |
| logD: | 4.3573 |
| logSw: | -4.371 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.629 |
| InChI Key: | PXLCLTBVUOPNLU-UHFFFAOYSA-N |