3-[(3-bromophenyl)methyl]-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[(3-bromophenyl)methyl]-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[(3-bromophenyl)methyl]-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | A0061131 |
| Compound Name: | 3-[(3-bromophenyl)methyl]-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 506.42 |
| Molecular Formula: | C25 H20 Br N3 O2 S |
| Smiles: | C1CN(Cc2ccccc12)C(c1ccc2C(N(Cc3cccc(c3)[Br])C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9873 |
| logD: | 4.9871 |
| logSw: | -4.7923 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.628 |
| InChI Key: | RJLWHAYHHKIWSA-UHFFFAOYSA-N |