4-chloro-2-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-3643 |
| Compound Name: | 4-chloro-2-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 558.05 |
| Molecular Formula: | C27 H28 Cl N3 O6 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1CN(CC1CC1)C(Nc1ccccc1OC)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0961 |
| logD: | 5.096 |
| logSw: | -5.2863 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.565 |
| InChI Key: | KRXHAGAJXPXFFW-UHFFFAOYSA-N |