3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061942 |
| Compound Name: | 3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 556.43 |
| Molecular Formula: | C25 H22 Br N3 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)NC(c1ccc2C(N(Cc3cccc(c3)[Br])C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5015 |
| logD: | 4.4825 |
| logSw: | -4.3694 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.387 |
| InChI Key: | XCMIJTZJAPMHGB-UHFFFAOYSA-N |