N-(cyclopropylmethyl)-4-{(1R,3aS,10aR,10bS)-2-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butanamide
Chemical Structure Depiction of
N-(cyclopropylmethyl)-4-{(1R,3aS,10aR,10bS)-2-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butanamide
N-(cyclopropylmethyl)-4-{(1R,3aS,10aR,10bS)-2-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butanamide
Compound characteristics
| Compound ID: | N106-0750 |
| Compound Name: | N-(cyclopropylmethyl)-4-{(1R,3aS,10aR,10bS)-2-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butanamide |
| Molecular Weight: | 493.69 |
| Molecular Formula: | C30 H43 N3 O3 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(NCC2CC2)=O)N(C1)C(C1(CC1)c1ccc(cc1)OC)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.7659 |
| logD: | 0.1883 |
| logSw: | -3.1512 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.711 |
| InChI Key: | ISTQXAKFXPLKTO-WKZNCHQYSA-N |