2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indol-4-one
Chemical Structure Depiction of
2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indol-4-one
2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indol-4-one
Compound characteristics
| Compound ID: | C589-0231 |
| Compound Name: | 2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indol-4-one |
| Molecular Weight: | 458.78 |
| Molecular Formula: | C23 H21 Br Cl N O2 |
| Smiles: | CC1(C)CC(c2cc(c3ccc(cc3)[Br])n(c3ccc(c(c3)[Cl])OC)c2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5199 |
| logD: | 6.5199 |
| logSw: | -6.2125 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 22.4448 |
| InChI Key: | VPTNSXDAPBACDA-UHFFFAOYSA-N |