2-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-5-(diethylamino)phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-5-(diethylamino)phenyl 4-methoxybenzene-1-sulfonate
2-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-5-(diethylamino)phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2023 |
| Compound Name: | 2-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-5-(diethylamino)phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 518.72 |
| Molecular Formula: | C28 H42 N2 O5 S |
| Salt: | not_available |
| Smiles: | CCC(C)N(Cc1ccc(cc1OS(c1ccc(cc1)OC)(=O)=O)N(CC)CC)C(CC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4136 |
| logD: | 6.4028 |
| logSw: | -5.6612 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.65 |
| InChI Key: | IPULRSPIQOIUQC-NRFANRHFSA-N |