3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4082 |
| Compound Name: | 3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 423.96 |
| Molecular Formula: | C21 H26 Cl N O4 S |
| Smiles: | CC(C)C(N(Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6522 |
| logD: | 4.6522 |
| logSw: | -4.7913 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.226 |
| InChI Key: | SQXHCMDRMLOMPW-UHFFFAOYSA-N |