N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | K284-6463 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide |
| Molecular Weight: | 530.6 |
| Molecular Formula: | C28 H26 N4 O5 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(CN2C(c3cc(ccc3NC2=S)N2CCOCC2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4611 |
| logD: | 3.4606 |
| logSw: | -3.7858 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.208 |
| InChI Key: | HEKZVBLOBKQRPN-UHFFFAOYSA-N |