2-{[N-(cyclopropylmethyl)-3,3-dimethylbutanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(cyclopropylmethyl)-3,3-dimethylbutanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
2-{[N-(cyclopropylmethyl)-3,3-dimethylbutanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-7529 |
| Compound Name: | 2-{[N-(cyclopropylmethyl)-3,3-dimethylbutanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C24 H31 N O5 S |
| Smiles: | CC(C)(C)CC(N(CC1CC1)Cc1ccccc1OS(c1ccc(cc1)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2737 |
| logD: | 5.2737 |
| logSw: | -5.2445 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.837 |
| InChI Key: | AVRKCXVEKUBGME-UHFFFAOYSA-N |