3-(azepan-2-ylidene)-1-(2,6-dichlorophenyl)-5-nitro-1,3-dihydro-2H-indol-2-one
Chemical Structure Depiction of
3-(azepan-2-ylidene)-1-(2,6-dichlorophenyl)-5-nitro-1,3-dihydro-2H-indol-2-one
3-(azepan-2-ylidene)-1-(2,6-dichlorophenyl)-5-nitro-1,3-dihydro-2H-indol-2-one
Compound characteristics
| Compound ID: | 4286-0219 |
| Compound Name: | 3-(azepan-2-ylidene)-1-(2,6-dichlorophenyl)-5-nitro-1,3-dihydro-2H-indol-2-one |
| Molecular Weight: | 418.28 |
| Molecular Formula: | C20 H17 Cl2 N3 O3 |
| Smiles: | C1CC/C(=C2C(N(c3ccc(cc\23)[N+]([O-])=O)c2c(cccc2[Cl])[Cl])=O)NCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.6703 |
| logD: | 4.6703 |
| logSw: | -4.9408 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.771 |
| InChI Key: | TZWSVSJIGRZDNK-UHFFFAOYSA-N |