7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | A0061171 |
| Compound Name: | 7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C26 H23 N3 O3 S |
| Smiles: | COc1ccc(CN2C(c3ccc(cc3NC2=S)C(N2CCc3ccccc3C2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2587 |
| logD: | 4.2585 |
| logSw: | -4.1996 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.172 |
| InChI Key: | MMRNVWIJCVJTKC-UHFFFAOYSA-N |