N-(2-methoxyphenyl)-3-nitro-4-{[2-oxo-2-(pentylamino)ethyl]sulfanyl}benzamide
Chemical Structure Depiction of
N-(2-methoxyphenyl)-3-nitro-4-{[2-oxo-2-(pentylamino)ethyl]sulfanyl}benzamide
N-(2-methoxyphenyl)-3-nitro-4-{[2-oxo-2-(pentylamino)ethyl]sulfanyl}benzamide
Compound characteristics
| Compound ID: | K781-3294 |
| Compound Name: | N-(2-methoxyphenyl)-3-nitro-4-{[2-oxo-2-(pentylamino)ethyl]sulfanyl}benzamide |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C21 H25 N3 O5 S |
| Smiles: | CCCCCNC(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1553 |
| logD: | 4.136 |
| logSw: | -4.2671 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.656 |
| InChI Key: | PWRAWVOZSVWEGM-UHFFFAOYSA-N |