4-chloro-2-{[N-(cyclopropylmethyl)-2-methylpropanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-{[N-(cyclopropylmethyl)-2-methylpropanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-{[N-(cyclopropylmethyl)-2-methylpropanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-3608 |
| Compound Name: | 4-chloro-2-{[N-(cyclopropylmethyl)-2-methylpropanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 478.99 |
| Molecular Formula: | C23 H27 Cl N2 O5 S |
| Smiles: | CC(C)C(N(CC1CC1)Cc1cc(ccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1811 |
| logD: | 4.181 |
| logSw: | -4.4764 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.083 |
| InChI Key: | DTSDGDXEXQYKOL-UHFFFAOYSA-N |