N-[2-(1H-indol-3-yl)ethyl]-4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-[2-(1H-indol-3-yl)ethyl]-4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
N-[2-(1H-indol-3-yl)ethyl]-4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | K284-6499 |
| Compound Name: | N-[2-(1H-indol-3-yl)ethyl]-4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide |
| Molecular Weight: | 539.66 |
| Molecular Formula: | C30 H29 N5 O3 S |
| Smiles: | C(CNC(c1ccc(CN2C(c3cc(ccc3NC2=S)N2CCOCC2)=O)cc1)=O)c1c[nH]c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.8328 |
| logD: | 3.8322 |
| logSw: | -4.1318 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.804 |
| InChI Key: | UZPQYBZNQCDURN-UHFFFAOYSA-N |