3-benzyl-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
3-benzyl-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]quinazolin-4(3H)-one
3-benzyl-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | A0015769 |
| Compound Name: | 3-benzyl-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]quinazolin-4(3H)-one |
| Molecular Weight: | 525.67 |
| Molecular Formula: | C31 H31 N3 O3 S |
| Smiles: | CC(C)(C)C(CSC1=Nc2cc(ccc2C(N1Cc1ccccc1)=O)C(N1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3121 |
| logD: | 5.3121 |
| logSw: | -5.2396 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.6 |
| InChI Key: | CLTJMUIMBQFDJB-UHFFFAOYSA-N |