1-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexan-1-one
Chemical Structure Depiction of
1-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexan-1-one
1-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexan-1-one
Compound characteristics
| Compound ID: | K297-1066 |
| Compound Name: | 1-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexan-1-one |
| Molecular Weight: | 465.62 |
| Molecular Formula: | C25 H31 N5 O2 S |
| Smiles: | COc1cccc(c1)N1CCN(CC1)C(CCCCCNC1c2ccccc2NC(N=1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2985 |
| logD: | 2.2007 |
| logSw: | -3.7402 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.1 |
| InChI Key: | DBNFHJVQEYBEQY-UHFFFAOYSA-N |