N-benzyl-3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-benzyl-3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-benzyl-3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-0926 |
| Compound Name: | N-benzyl-3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C26 H22 N4 O2 S |
| Smiles: | C(CN1C(c2ccc(cc2NC1=S)C(NCc1ccccc1)=O)=O)c1c[nH]c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.2758 |
| logD: | 4.2682 |
| logSw: | -4.2197 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.58 |
| InChI Key: | WWQXOYADTIQAQE-UHFFFAOYSA-N |