2-{[N-(cyclopropylmethyl)(ethyl)carbamamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(cyclopropylmethyl)(ethyl)carbamamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
2-{[N-(cyclopropylmethyl)(ethyl)carbamamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-1992 |
| Compound Name: | 2-{[N-(cyclopropylmethyl)(ethyl)carbamamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 528.5 |
| Molecular Formula: | C24 H31 Cl2 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCNC(N(CC1CC1)Cc1ccc(cc1OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)N(CC)CC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6989 |
| logD: | 5.6881 |
| logSw: | -5.978 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.326 |
| InChI Key: | YGYOGXBIWSWEEW-UHFFFAOYSA-N |