3,4,4-trichloro-N,N-diethyl-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-amine
Chemical Structure Depiction of
3,4,4-trichloro-N,N-diethyl-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-amine
3,4,4-trichloro-N,N-diethyl-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-amine
Compound characteristics
| Compound ID: | 0250-0040 |
| Compound Name: | 3,4,4-trichloro-N,N-diethyl-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-amine |
| Molecular Weight: | 381.71 |
| Molecular Formula: | C14 H15 Cl3 N2 O2 S |
| Smiles: | CCN(CC)/C(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.84 |
| logD: | 5.84 |
| logSw: | -6.0391 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.583 |
| InChI Key: | BSSHFVDKNXCJFP-UHFFFAOYSA-N |