2-(3-nitrophenyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
Chemical Structure Depiction of
2-(3-nitrophenyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
2-(3-nitrophenyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
Compound characteristics
| Compound ID: | 5055-9129 |
| Compound Name: | 2-(3-nitrophenyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}-5,6,7,8-tetrahydroquinazoline-4(1H)-thione |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C26 H22 N4 O2 S |
| Smiles: | C1CCC2=C(C1)C(N=C(c1cccc(c1)[N+]([O-])=O)N2c1ccc(Cc2ccncc2)cc1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.9567 |
| logD: | 4.9242 |
| logSw: | -4.8776 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.535 |
| InChI Key: | DHQPIJNYQPELHJ-UHFFFAOYSA-N |