N-(2-methoxyphenyl)-3-nitro-4-{[2-(octylamino)-2-oxoethyl]sulfanyl}benzamide
Chemical Structure Depiction of
N-(2-methoxyphenyl)-3-nitro-4-{[2-(octylamino)-2-oxoethyl]sulfanyl}benzamide
N-(2-methoxyphenyl)-3-nitro-4-{[2-(octylamino)-2-oxoethyl]sulfanyl}benzamide
Compound characteristics
| Compound ID: | K781-3309 |
| Compound Name: | N-(2-methoxyphenyl)-3-nitro-4-{[2-(octylamino)-2-oxoethyl]sulfanyl}benzamide |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C24 H31 N3 O5 S |
| Smiles: | CCCCCCCCNC(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6431 |
| logD: | 5.6238 |
| logSw: | -5.2044 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.656 |
| InChI Key: | WVFSJQVWYDYIKY-UHFFFAOYSA-N |