3-[2-(1H-imidazol-4-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
Chemical Structure Depiction of
3-[2-(1H-imidazol-4-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
3-[2-(1H-imidazol-4-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
Compound characteristics
| Compound ID: | 8017-2366 |
| Compound Name: | 3-[2-(1H-imidazol-4-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid |
| Molecular Weight: | 316.34 |
| Molecular Formula: | C14 H12 N4 O3 S |
| Smiles: | C(CN1C(c2ccc(cc2NC1=S)C(O)=O)=O)c1c[nH]cn1 |
| Stereo: | ACHIRAL |
| logP: | 1.7054 |
| logD: | -1.397 |
| logSw: | -2.5823 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.498 |
| InChI Key: | PCGDXXUQUGOKAT-UHFFFAOYSA-N |