3-[(3-bromophenyl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(3-bromophenyl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(3-bromophenyl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061921 |
| Compound Name: | 3-[(3-bromophenyl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 506.42 |
| Molecular Formula: | C25 H20 Br N3 O2 S |
| Smiles: | C1Cc2ccc(cc2C1)NC(c1ccc2C(N(Cc3cccc(c3)[Br])C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9341 |
| logD: | 5.9304 |
| logSw: | -5.9014 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.696 |
| InChI Key: | DDZQVDANEGSROF-UHFFFAOYSA-N |