N-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-4-methoxybenzamide
N-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | K284-4837 |
| Compound Name: | N-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-4-methoxybenzamide |
| Molecular Weight: | 508.98 |
| Molecular Formula: | C25 H21 Cl N4 O4 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSC1=Nc2ccccc2C(N1NC(c1ccc(cc1)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9912 |
| logD: | 3.989 |
| logSw: | -4.4511 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.865 |
| InChI Key: | VPMCSBIRIXJLGI-UHFFFAOYSA-N |