5-chloro-3-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
5-chloro-3-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
5-chloro-3-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C289-0316 |
| Compound Name: | 5-chloro-3-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 403.78 |
| Molecular Formula: | C18 H14 Cl N3 O6 |
| Smiles: | COc1ccc(cc1NC(Cc1c2cc(ccc2[nH]c1C(O)=O)[Cl])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6758 |
| logD: | 0.1214 |
| logSw: | -3.3164 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.958 |
| InChI Key: | VWQLVBVYGPHRKE-UHFFFAOYSA-N |