N-[1-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[1-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl]-3-nitrobenzamide
N-[1-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | V029-7258 |
| Compound Name: | N-[1-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl]-3-nitrobenzamide |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C25 H28 N4 O4 |
| Salt: | not_available |
| Smiles: | CC(C)CCn1c(cc2cc(ccc12)NC(c1cccc(c1)[N+]([O-])=O)=O)C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2212 |
| logD: | 5.221 |
| logSw: | -5.2985 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.429 |
| InChI Key: | YXOPELMAYSCRNW-UHFFFAOYSA-N |