2-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
2-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-5244 |
| Compound Name: | 2-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 560.07 |
| Molecular Formula: | C27 H30 Cl N3 O6 S |
| Smiles: | CCC(C)N(Cc1cc(ccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)[Cl])C(Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4369 |
| logD: | 5.4367 |
| logSw: | -5.7876 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.641 |
| InChI Key: | ZQQDBWJWMPTUGX-SFHVURJKSA-N |