rel-(8aR,10R,11aS)-10-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-(thiophene-2-carbonyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Chemical Structure Depiction of
rel-(8aR,10R,11aS)-10-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-(thiophene-2-carbonyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
rel-(8aR,10R,11aS)-10-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-(thiophene-2-carbonyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Compound characteristics
| Compound ID: | S802-0016 |
| Compound Name: | rel-(8aR,10R,11aS)-10-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-(thiophene-2-carbonyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one |
| Molecular Weight: | 465.61 |
| Molecular Formula: | C26 H31 N3 O3 S |
| Smiles: | C1CCNC([C@H]2C[C@@H](C[C@H]2N(CC1)C(c1cccs1)=O)C(N1CCc2ccccc2C1)=O)=O |
| Stereo: | RELATIVE |
| logP: | 3.0591 |
| logD: | 3.0591 |
| logSw: | -3.2188 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.203 |
| InChI Key: | JPMMHHZKCFHFNW-BDTNDASRSA-N |