methyl 3-{[4-(azepane-1-sulfonyl)phenyl]carbamoyl}-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-{[4-(azepane-1-sulfonyl)phenyl]carbamoyl}-5-nitrobenzoate
methyl 3-{[4-(azepane-1-sulfonyl)phenyl]carbamoyl}-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-3516 |
| Compound Name: | methyl 3-{[4-(azepane-1-sulfonyl)phenyl]carbamoyl}-5-nitrobenzoate |
| Molecular Weight: | 461.49 |
| Molecular Formula: | C21 H23 N3 O7 S |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(Nc1ccc(cc1)S(N1CCCCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7304 |
| logD: | 3.3267 |
| logSw: | -4.0519 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.927 |
| InChI Key: | VWOIICSHKJNEQC-UHFFFAOYSA-N |