3-benzyl-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-benzyl-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-benzyl-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | A0060831 |
| Compound Name: | 3-benzyl-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C25 H21 N3 O2 S |
| Smiles: | C1CN(Cc2ccccc12)C(c1ccc2C(N(Cc3ccccc3)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2763 |
| logD: | 4.2761 |
| logSw: | -4.2522 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.628 |
| InChI Key: | JTLDPYCWXIMVMI-UHFFFAOYSA-N |