1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-4-(4-cyanophenyl)-1H-indol-5-yl diethylcarbamate
Chemical Structure Depiction of
1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-4-(4-cyanophenyl)-1H-indol-5-yl diethylcarbamate
1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-4-(4-cyanophenyl)-1H-indol-5-yl diethylcarbamate
Compound characteristics
| Compound ID: | V001-4622 |
| Compound Name: | 1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-4-(4-cyanophenyl)-1H-indol-5-yl diethylcarbamate |
| Molecular Weight: | 501.97 |
| Molecular Formula: | C28 H24 Cl N3 O4 |
| Smiles: | CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc3c(cc2[Cl])OCO3)c1c1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.3654 |
| logD: | 6.3654 |
| logSw: | -6.4876 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.944 |
| InChI Key: | HNBMZZKCGXCTTK-UHFFFAOYSA-N |