5-chloro-N-[rel-(1R,2S)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)cyclopentyl]thiophene-2-carboxamide
Chemical Structure Depiction of
5-chloro-N-[rel-(1R,2S)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)cyclopentyl]thiophene-2-carboxamide
5-chloro-N-[rel-(1R,2S)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)cyclopentyl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | CM2661-3681 |
| Compound Name: | 5-chloro-N-[rel-(1R,2S)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)cyclopentyl]thiophene-2-carboxamide |
| Molecular Weight: | 388.91 |
| Molecular Formula: | C20 H21 Cl N2 O2 S |
| Smiles: | C1C[C@H](C(N2CCc3ccccc3C2)=O)[C@@H](C1)NC(c1ccc(s1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.8387 |
| logD: | 3.8387 |
| logSw: | -4.4743 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.462 |
| InChI Key: | HHNFCBYLKCLUQR-CVEARBPZSA-N |