3-(2,4-dimethoxyphenyl)-N-[3-(morpholin-4-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-(2,4-dimethoxyphenyl)-N-[3-(morpholin-4-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide--hydrogen chloride (1/1)
3-(2,4-dimethoxyphenyl)-N-[3-(morpholin-4-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | A0061533 |
| Compound Name: | 3-(2,4-dimethoxyphenyl)-N-[3-(morpholin-4-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 521.03 |
| Molecular Formula: | C24 H28 N4 O5 S |
| Salt: | HCl |
| Smiles: | COc1ccc(c(c1)OC)N1C(c2ccc(cc2NC1=S)C(NCCCN1CCOCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7652 |
| logD: | 1.377 |
| logSw: | -2.7116 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.726 |
| InChI Key: | CMVYXSBSWKFTPP-UHFFFAOYSA-N |