rel-(2R,7aS)-2-(3-methoxyphenyl)-N-[(5-methyl-1H-benzimidazol-2-yl)methyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-2-(3-methoxyphenyl)-N-[(5-methyl-1H-benzimidazol-2-yl)methyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-2-(3-methoxyphenyl)-N-[(5-methyl-1H-benzimidazol-2-yl)methyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-0472 |
| Compound Name: | rel-(2R,7aS)-2-(3-methoxyphenyl)-N-[(5-methyl-1H-benzimidazol-2-yl)methyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C24 H26 N4 O3 |
| Smiles: | Cc1ccc2c(c1)nc(CNC([C@]1(C[C@@H]3CCC(N3C1)=O)c1cccc(c1)OC)=O)[nH]2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.705 |
| logD: | 2.7048 |
| logSw: | -3.0111 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.752 |
| InChI Key: | KVGVSNPAYQNNKE-BXKMTCNYSA-N |