N-[3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]cyclopropanamine
Chemical Structure Depiction of
N-[3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]cyclopropanamine
N-[3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]cyclopropanamine
Compound characteristics
| Compound ID: | 4859-0482 |
| Compound Name: | N-[3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]cyclopropanamine |
| Molecular Weight: | 365.66 |
| Molecular Formula: | C13 H11 Cl3 N2 O2 S |
| Smiles: | C1CC1N/C(=C(\C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2307 |
| logD: | 5.0912 |
| logSw: | -5.7292 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.868 |
| InChI Key: | CTAWVCMHFREYIA-UHFFFAOYSA-N |