3-{[N-(cyclopropylmethyl)-3,3-dimethylbutanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(cyclopropylmethyl)-3,3-dimethylbutanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[N-(cyclopropylmethyl)-3,3-dimethylbutanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-1605 |
| Compound Name: | 3-{[N-(cyclopropylmethyl)-3,3-dimethylbutanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 464.02 |
| Molecular Formula: | C24 H30 Cl N O4 S |
| Smiles: | Cc1cccc(c1S(=O)(=O)Oc1cccc(CN(CC2CC2)C(CC(C)(C)C)=O)c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.6718 |
| logD: | 5.6718 |
| logSw: | -5.9536 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.207 |
| InChI Key: | WUODEJUZCLPMQA-UHFFFAOYSA-N |