5-{[N-(butan-2-yl)-4-hexylbenzamido]methyl}-2-methoxyphenyl methanesulfonate
Chemical Structure Depiction of
5-{[N-(butan-2-yl)-4-hexylbenzamido]methyl}-2-methoxyphenyl methanesulfonate
5-{[N-(butan-2-yl)-4-hexylbenzamido]methyl}-2-methoxyphenyl methanesulfonate
Compound characteristics
| Compound ID: | V012-1039 |
| Compound Name: | 5-{[N-(butan-2-yl)-4-hexylbenzamido]methyl}-2-methoxyphenyl methanesulfonate |
| Molecular Weight: | 475.65 |
| Molecular Formula: | C26 H37 N O5 S |
| Smiles: | CCCCCCc1ccc(cc1)C(N(Cc1ccc(c(c1)OS(C)(=O)=O)OC)C(C)CC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2076 |
| logD: | 6.2076 |
| logSw: | -5.2528 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.644 |
| InChI Key: | LIINZSPGYJEPDH-FQEVSTJZSA-N |