N-[2-(3-{[2-(2-methoxyanilino)-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-methoxyanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]benzamide
N-[2-(3-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | F151-0539 |
| Compound Name: | N-[2-(3-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]benzamide |
| Molecular Weight: | 487.54 |
| Molecular Formula: | C25 H21 N5 O4 S |
| Smiles: | COc1ccccc1NC(CSC1NC(C(c2ccccc2NC(c2ccccc2)=O)=NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4301 |
| logD: | 3.275 |
| logSw: | -3.9431 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.271 |
| InChI Key: | MDBGIVUWNGQSLR-UHFFFAOYSA-N |