2-{[(3-nitrophenyl)methyl]sulfanyl}-3-[(thiophen-2-yl)methyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-nitrophenyl)methyl]sulfanyl}-3-[(thiophen-2-yl)methyl]quinazolin-4(3H)-one
2-{[(3-nitrophenyl)methyl]sulfanyl}-3-[(thiophen-2-yl)methyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-1408 |
| Compound Name: | 2-{[(3-nitrophenyl)methyl]sulfanyl}-3-[(thiophen-2-yl)methyl]quinazolin-4(3H)-one |
| Molecular Weight: | 409.48 |
| Molecular Formula: | C20 H15 N3 O3 S2 |
| Smiles: | C(c1cccs1)N1C(=Nc2ccccc2C1=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2862 |
| logD: | 4.2862 |
| logSw: | -4.4887 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.171 |
| InChI Key: | OEDHZBGNEFUSOX-UHFFFAOYSA-N |