ethyl 4-{6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexanoyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexanoyl}piperazine-1-carboxylate
ethyl 4-{6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexanoyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K297-1024 |
| Compound Name: | ethyl 4-{6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexanoyl}piperazine-1-carboxylate |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C21 H29 N5 O3 S |
| Smiles: | CCOC(N1CCN(CC1)C(CCCCCNC1c2ccccc2NC(N=1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.093 |
| logD: | 0.9952 |
| logSw: | -2.9917 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.076 |
| InChI Key: | DUAMYYBFJZSZLK-UHFFFAOYSA-N |