N-ethyl-N-{2-[3-({2-[(naphthalen-1-yl)amino]-2-oxoethyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]phenyl}acetamide
Chemical Structure Depiction of
N-ethyl-N-{2-[3-({2-[(naphthalen-1-yl)amino]-2-oxoethyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]phenyl}acetamide
N-ethyl-N-{2-[3-({2-[(naphthalen-1-yl)amino]-2-oxoethyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]phenyl}acetamide
Compound characteristics
| Compound ID: | J018-0182 |
| Compound Name: | N-ethyl-N-{2-[3-({2-[(naphthalen-1-yl)amino]-2-oxoethyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]phenyl}acetamide |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C25 H23 N5 O3 S |
| Smiles: | CCN(C(C)=O)c1ccccc1C1C(NC(=NN=1)SCC(Nc1cccc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0495 |
| logD: | 3.0153 |
| logSw: | -3.4703 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.762 |
| InChI Key: | URRPCHIZVOIKPT-UHFFFAOYSA-N |