3-(3,4-dimethoxyphenyl)-N-[3-(1H-imidazol-1-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-N-[3-(1H-imidazol-1-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-(3,4-dimethoxyphenyl)-N-[3-(1H-imidazol-1-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061873 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-N-[3-(1H-imidazol-1-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C23 H23 N5 O4 S |
| Smiles: | COc1ccc(cc1OC)N1C(c2ccc(cc2NC1=S)C(NCCCn1ccnc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3899 |
| logD: | 1.1411 |
| logSw: | -2.2739 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.023 |
| InChI Key: | UYHWRFIZDKGJFV-UHFFFAOYSA-N |