4-[2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-imidazol-1-yl]-N-butylbenzamide
Chemical Structure Depiction of
4-[2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-imidazol-1-yl]-N-butylbenzamide
4-[2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-imidazol-1-yl]-N-butylbenzamide
Compound characteristics
| Compound ID: | F984-0913 |
| Compound Name: | 4-[2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-imidazol-1-yl]-N-butylbenzamide |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C23 H24 N4 O4 S |
| Smiles: | CCCCNC(c1ccc(cc1)n1ccnc1SCC(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5473 |
| logD: | 3.5463 |
| logSw: | -3.7589 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.309 |
| InChI Key: | VLKDOOUXLSKXLN-UHFFFAOYSA-N |