7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-(3-ethoxypropyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-(3-ethoxypropyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-(3-ethoxypropyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-3321 |
| Compound Name: | 7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-(3-ethoxypropyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 510.61 |
| Molecular Formula: | C26 H30 N4 O5 S |
| Smiles: | CCOCCCN1C(c2ccc(cc2NC1=S)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4904 |
| logD: | 2.2983 |
| logSw: | -3.0992 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.85 |
| InChI Key: | CURRSPVIXPIPBI-UHFFFAOYSA-N |