7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-propyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-propyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-propyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0613 |
| Compound Name: | 7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-propyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 442.97 |
| Molecular Formula: | C22 H23 Cl N4 O2 S |
| Smiles: | CCCN1C(c2ccc(cc2NC1=S)C(N1CCN(CC1)c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8132 |
| logD: | 3.8127 |
| logSw: | -4.2313 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.477 |
| InChI Key: | KEPYOSVYRINPPH-UHFFFAOYSA-N |