N-[2-{[(4-chlorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[2-{[(4-chlorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]thiophene-2-carboxamide
N-[2-{[(4-chlorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | K284-4817 |
| Compound Name: | N-[2-{[(4-chlorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]thiophene-2-carboxamide |
| Molecular Weight: | 427.93 |
| Molecular Formula: | C20 H14 Cl N3 O2 S2 |
| Smiles: | C(c1ccc(cc1)[Cl])SC1=Nc2ccccc2C(N1NC(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4625 |
| logD: | 3.4621 |
| logSw: | -4.0497 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.191 |
| InChI Key: | VCTKZYQAITWIGM-UHFFFAOYSA-N |