N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(diethylamino)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(diethylamino)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(diethylamino)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0679 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(diethylamino)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C23 H26 N4 O4 S |
| Smiles: | CCN(CC)CCN1C(c2ccc(cc2NC1=S)C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1026 |
| logD: | 1.6551 |
| logSw: | -3.3987 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.508 |
| InChI Key: | XIPWHABCZXTUSG-UHFFFAOYSA-N |