2-{4-chloro-N-[(2,5-dimethoxyphenyl)methyl]-3-nitrobenzamido}-N-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
Chemical Structure Depiction of
2-{4-chloro-N-[(2,5-dimethoxyphenyl)methyl]-3-nitrobenzamido}-N-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
2-{4-chloro-N-[(2,5-dimethoxyphenyl)methyl]-3-nitrobenzamido}-N-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
Compound characteristics
| Compound ID: | 8014-6785 |
| Compound Name: | 2-{4-chloro-N-[(2,5-dimethoxyphenyl)methyl]-3-nitrobenzamido}-N-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide |
| Molecular Weight: | 592.07 |
| Molecular Formula: | C30 H26 Cl N3 O6 S |
| Smiles: | COc1ccc(c(CN(C(c2ccc(c(c2)[N+]([O-])=O)[Cl])=O)c2c(C(Nc3ccccc3)=O)c3CCCc3s2)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 6.3977 |
| logD: | 6.3977 |
| logSw: | -6.3069 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.291 |
| InChI Key: | BBWHTDVFGHZINE-UHFFFAOYSA-N |