5-({4-[bis(2-bromoethyl)amino]phenyl}methylidene)-3-(3-{[bis(2-hydroxyethyl)amino]oxy}-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-({4-[bis(2-bromoethyl)amino]phenyl}methylidene)-3-(3-{[bis(2-hydroxyethyl)amino]oxy}-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
5-({4-[bis(2-bromoethyl)amino]phenyl}methylidene)-3-(3-{[bis(2-hydroxyethyl)amino]oxy}-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
Compound ID: | 3147-0591 |
Compound Name: | 5-({4-[bis(2-bromoethyl)amino]phenyl}methylidene)-3-(3-{[bis(2-hydroxyethyl)amino]oxy}-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
Molecular Weight: | 625.4 |
Molecular Formula: | C21 H27 Br2 N3 O5 S2 |
Smiles: | C(CN1C(/C(=C\c2ccc(cc2)N(CC[Br])CC[Br])SC1=S)=O)C(=O)ON(CCO)CCO |
Stereo: | ACHIRAL |
logP: | 2.1592 |
logD: | 2.1592 |
logSw: | -2.3275 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 81.109 |
InChI Key: | HPNGXAQKODDFMV-UHFFFAOYSA-N |