1-(2,3-dihydro-1H-indol-1-yl)-2-[(5,5,7-trimethyl-5,6-dihydro-2H-1,2,4-triazepin-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2,3-dihydro-1H-indol-1-yl)-2-[(5,5,7-trimethyl-5,6-dihydro-2H-1,2,4-triazepin-3-yl)sulfanyl]ethan-1-one
1-(2,3-dihydro-1H-indol-1-yl)-2-[(5,5,7-trimethyl-5,6-dihydro-2H-1,2,4-triazepin-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8018-4182 |
| Compound Name: | 1-(2,3-dihydro-1H-indol-1-yl)-2-[(5,5,7-trimethyl-5,6-dihydro-2H-1,2,4-triazepin-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 330.45 |
| Molecular Formula: | C17 H22 N4 O S |
| Smiles: | CC1CC(C)(C)N=C(NN=1)SCC(N1CCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7223 |
| logD: | 2.2105 |
| logSw: | -3.0108 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.338 |
| InChI Key: | BVKVTNZLJKARIG-UHFFFAOYSA-N |