5-(diethylamino)-2-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
5-(diethylamino)-2-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-1070 |
| Compound Name: | 5-(diethylamino)-2-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 530.51 |
| Molecular Formula: | C24 H33 Cl2 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCNC(N(CC(C)C)Cc1ccc(cc1OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)N(CC)CC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0136 |
| logD: | 6.0028 |
| logSw: | -6.171 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.074 |
| InChI Key: | HNDPGOSDDCICRI-UHFFFAOYSA-N |