N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-chlorobenzamido)-5-methyl-1H-indole-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-chlorobenzamido)-5-methyl-1H-indole-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-chlorobenzamido)-5-methyl-1H-indole-2-carboxamide
Compound characteristics
| Compound ID: | L881-0251 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-chlorobenzamido)-5-methyl-1H-indole-2-carboxamide |
| Molecular Weight: | 461.9 |
| Molecular Formula: | C25 H20 Cl N3 O4 |
| Smiles: | Cc1ccc2c(c1)c(c(C(NCc1ccc3c(c1)OCO3)=O)[nH]2)NC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2014 |
| logD: | 3.8371 |
| logSw: | -4.489 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.582 |
| InChI Key: | CKUBLYKCUFLVKE-UHFFFAOYSA-N |