rel-(8aR,12aS)-4-[(4-chlorophenyl)acetyl]-1-(methoxyacetyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one
Chemical Structure Depiction of
rel-(8aR,12aS)-4-[(4-chlorophenyl)acetyl]-1-(methoxyacetyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one
rel-(8aR,12aS)-4-[(4-chlorophenyl)acetyl]-1-(methoxyacetyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one
Compound characteristics
Compound ID: | SB83-0612 |
Compound Name: | rel-(8aR,12aS)-4-[(4-chlorophenyl)acetyl]-1-(methoxyacetyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one |
Molecular Weight: | 435.95 |
Molecular Formula: | C22 H30 Cl N3 O4 |
Smiles: | COCC(N1CCN(CCNC([C@H]2CCCC[C@@H]12)=O)C(Cc1ccc(cc1)[Cl])=O)=O |
Stereo: | RELATIVE |
logP: | 1.4627 |
logD: | 1.4627 |
logSw: | -2.6224 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.605 |
InChI Key: | UDXODUOQZVSORB-OALUTQOASA-N |