N-tert-butyl-4-{3-[(4-chlorophenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamide
Chemical Structure Depiction of
N-tert-butyl-4-{3-[(4-chlorophenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamide
N-tert-butyl-4-{3-[(4-chlorophenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamide
Compound characteristics
| Compound ID: | F616-0497 |
| Compound Name: | N-tert-butyl-4-{3-[(4-chlorophenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamide |
| Molecular Weight: | 413.92 |
| Molecular Formula: | C21 H20 Cl N3 O2 S |
| Smiles: | CC(C)(C)NC(c1ccc(cc1)N1C(C=CC(=N1)Sc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6561 |
| logD: | 4.6561 |
| logSw: | -4.8999 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.056 |
| InChI Key: | UCTVVBZEYDACCC-UHFFFAOYSA-N |