rel-(8aR,12aS)-4-(1H-indole-4-carbonyl)-1-(methoxyacetyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one
Chemical Structure Depiction of
rel-(8aR,12aS)-4-(1H-indole-4-carbonyl)-1-(methoxyacetyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one
rel-(8aR,12aS)-4-(1H-indole-4-carbonyl)-1-(methoxyacetyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one
Compound characteristics
| Compound ID: | SB83-0606 |
| Compound Name: | rel-(8aR,12aS)-4-(1H-indole-4-carbonyl)-1-(methoxyacetyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C23 H30 N4 O4 |
| Smiles: | COCC(N1CCN(CCNC([C@H]2CCCC[C@@H]12)=O)C(c1cccc2c1cc[nH]2)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7234 |
| logD: | 0.7234 |
| logSw: | -2.0938 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.913 |
| InChI Key: | GQJZVCBXISHSEV-QUCCMNQESA-N |