2-({4-[bis(2-chloroethyl)amino]phenyl}methylidene)-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-({4-[bis(2-chloroethyl)amino]phenyl}methylidene)-1-benzothiophen-3(2H)-one
2-({4-[bis(2-chloroethyl)amino]phenyl}methylidene)-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 1542-0033 |
| Compound Name: | 2-({4-[bis(2-chloroethyl)amino]phenyl}methylidene)-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 378.32 |
| Molecular Formula: | C19 H17 Cl2 N O S |
| Smiles: | C(C[Cl])N(CC[Cl])c1ccc(\C=C2/C(c3ccccc3S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8995 |
| logD: | 4.8995 |
| logSw: | -4.7391 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 16.6434 |
| InChI Key: | LJFKDCBNOQEPNP-UHFFFAOYSA-N |