N-[3-(azepan-1-yl)propyl]-3-[(4-chlorophenyl)sulfanyl]-1H-indole-2-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-3-[(4-chlorophenyl)sulfanyl]-1H-indole-2-carboxamide
N-[3-(azepan-1-yl)propyl]-3-[(4-chlorophenyl)sulfanyl]-1H-indole-2-carboxamide
Compound characteristics
Compound ID: | E018-0805 |
Compound Name: | N-[3-(azepan-1-yl)propyl]-3-[(4-chlorophenyl)sulfanyl]-1H-indole-2-carboxamide |
Molecular Weight: | 442.02 |
Molecular Formula: | C24 H28 Cl N3 O S |
Smiles: | C1CCCN(CC1)CCCNC(c1c(c2ccccc2[nH]1)Sc1ccc(cc1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 5.2363 |
logD: | 2.6657 |
logSw: | -5.7324 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 38.655 |
InChI Key: | HLVVRFGPAFQVHI-UHFFFAOYSA-N |