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 |