3-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-0948 |
| Compound Name: | 3-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 484.58 |
| Molecular Formula: | C27 H24 N4 O3 S |
| Smiles: | COc1ccccc1CNC(c1ccc2C(N(CCc3c[nH]c4ccccc34)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4971 |
| logD: | 4.4895 |
| logSw: | -4.1428 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.211 |
| InChI Key: | GFVKTWQCJRXIMJ-UHFFFAOYSA-N |