2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
Chemical Structure Depiction of
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
Compound characteristics
| Compound ID: | K284-6917 |
| Compound Name: | 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide |
| Molecular Weight: | 534.59 |
| Molecular Formula: | C26 H26 N6 O5 S |
| Smiles: | Cc1cc(NC(CSC2=Nc3ccc(cc3C(N2Cc2ccc3c(c2)OCO3)=O)N2CCOCC2)=O)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.8655 |
| logD: | 2.8636 |
| logSw: | -3.4273 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.532 |
| InChI Key: | PAVFFBHVCMJFSY-UHFFFAOYSA-N |