5-({4-[bis(2-chloroethyl)amino]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-({4-[bis(2-chloroethyl)amino]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-({4-[bis(2-chloroethyl)amino]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
Compound ID: | 1184-1966 |
Compound Name: | 5-({4-[bis(2-chloroethyl)amino]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione |
Molecular Weight: | 372.27 |
Molecular Formula: | C15 H15 Cl2 N3 O2 S |
Smiles: | C(C[Cl])N(CC[Cl])c1ccc(C=C2C(NC(NC2=O)=S)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 2.968 |
logD: | 2.5424 |
logSw: | -3.4366 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 52.869 |
InChI Key: | QZMINHARSAZTFO-UHFFFAOYSA-N |