3-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]phenyl 4-methoxybenzene-1-sulfonate
3-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V015-5094 |
| Compound Name: | 3-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 431.55 |
| Molecular Formula: | C23 H29 N O5 S |
| Smiles: | CC(C)(C)CC(N(Cc1cccc(c1)OS(c1ccc(cc1)OC)(=O)=O)C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7761 |
| logD: | 4.7761 |
| logSw: | -4.7443 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.803 |
| InChI Key: | DHEACMVEQASVKE-UHFFFAOYSA-N |