N-[2-(3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[2-(3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]thiophene-2-carboxamide
N-[2-(3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]thiophene-2-carboxamide
Compound characteristics
Compound ID: | C064-0428 |
Compound Name: | N-[2-(3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]thiophene-2-carboxamide |
Molecular Weight: | 514.46 |
Molecular Formula: | C23 H20 Br N3 O2 S2 |
Smiles: | C(Cn1cc(c2ccccc12)SCC(Nc1ccc(cc1)[Br])=O)NC(c1cccs1)=O |
Stereo: | ACHIRAL |
logP: | 4.7594 |
logD: | 4.7592 |
logSw: | -4.712 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 50.371 |
InChI Key: | YRHWVFWAQDLLGG-UHFFFAOYSA-N |