N-[2-(3-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]benzamide
Chemical Structure Depiction of
N-[2-(3-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]benzamide
N-[2-(3-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | F151-0532 |
| Compound Name: | N-[2-(3-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]benzamide |
| Molecular Weight: | 471.54 |
| Molecular Formula: | C25 H21 N5 O3 S |
| Smiles: | Cc1ccccc1NC(CSC1NC(C(c2ccccc2NC(c2ccccc2)=O)=NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4719 |
| logD: | 3.3167 |
| logSw: | -3.8027 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.641 |
| InChI Key: | LQCCGUPPQKDPQX-UHFFFAOYSA-N |