2-[(11aS)-5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzoic acid
Chemical Structure Depiction of
2-[(11aS)-5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzoic acid
2-[(11aS)-5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzoic acid
Compound characteristics
| Compound ID: | Y042-8043 |
| Compound Name: | 2-[(11aS)-5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzoic acid |
| Molecular Weight: | 389.41 |
| Molecular Formula: | C22 H19 N3 O4 |
| Smiles: | CC1(C)c2c(C[C@H]3C(N(C(N13)=O)c1ccccc1C(O)=O)=O)c1ccccc1[nH]2 |
| Stereo: | ABSOLUTE |
| logP: | 2.831 |
| logD: | -1.9527 |
| logSw: | -3.3918 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.344 |
| InChI Key: | GYQLQGLHLHUNQD-QGZVFWFLSA-N |