N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexanamide
Chemical Structure Depiction of
N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexanamide
N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexanamide
Compound characteristics
| Compound ID: | K297-1012 |
| Compound Name: | N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexanamide |
| Molecular Weight: | 522.71 |
| Molecular Formula: | C28 H38 N6 O2 S |
| Smiles: | COc1ccc(cc1)N1CCN(CCCNC(CCCCCNC2c3ccccc3NC(N=2)=S)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.7209 |
| logD: | 1.6231 |
| logSw: | -3.5365 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.003 |
| InChI Key: | NROOAOQPVGAYGY-UHFFFAOYSA-N |