5-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-2-methoxyphenyl ethanesulfonate
5-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V007-4397 |
| Compound Name: | 5-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C19 H29 N O5 S |
| Smiles: | CCS(=O)(=O)Oc1cc(CN(C2CC2)C(CC(C)(C)C)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.2315 |
| logD: | 3.2315 |
| logSw: | -3.4197 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.324 |
| InChI Key: | SJQHZFBXNRRKRU-UHFFFAOYSA-N |