N-{(3S,7S,8aS)-2-[(4-chlorophenyl)methyl]-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
Chemical Structure Depiction of
N-{(3S,7S,8aS)-2-[(4-chlorophenyl)methyl]-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
N-{(3S,7S,8aS)-2-[(4-chlorophenyl)methyl]-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
Compound characteristics
Compound ID: | S974-1102 |
Compound Name: | N-{(3S,7S,8aS)-2-[(4-chlorophenyl)methyl]-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide |
Molecular Weight: | 335.83 |
Molecular Formula: | C17 H22 Cl N3 O2 |
Smiles: | CC(N[C@H]1C[C@H]2CN(Cc3ccc(cc3)[Cl])[C@@H](C)C(N2C1)=O)=O |
Stereo: | ABSOLUTE |
logP: | 1.2592 |
logD: | 1.2228 |
logSw: | -2.6563 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.007 |
InChI Key: | MLVBWRAJHLWNTP-IUIKQTSFSA-N |