N-{[3-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-N'-tert-butyl-N-[(3-chlorophenyl)methyl]urea
Chemical Structure Depiction of
N-{[3-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-N'-tert-butyl-N-[(3-chlorophenyl)methyl]urea
N-{[3-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-N'-tert-butyl-N-[(3-chlorophenyl)methyl]urea
Compound characteristics
| Compound ID: | V013-5631 |
| Compound Name: | N-{[3-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-N'-tert-butyl-N-[(3-chlorophenyl)methyl]urea |
| Molecular Weight: | 443.93 |
| Molecular Formula: | C23 H26 Cl N3 O4 |
| Smiles: | CC(C)(C)NC(N(CC1CC(c2ccc3c(c2)OCO3)=NO1)Cc1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0874 |
| logD: | 5.0874 |
| logSw: | -5.4552 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.368 |
| InChI Key: | JEYSFLGWVDYKHX-GOSISDBHSA-N |