3-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
3-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-7673 |
| Compound Name: | 3-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 525.62 |
| Molecular Formula: | C27 H31 N3 O6 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)C(Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6279 |
| logD: | 4.6278 |
| logSw: | -4.4287 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.555 |
| InChI Key: | BZDGMYMYSMMCFL-IBGZPJMESA-N |