4-chloro-13,13-dimethyl-7-oxo-7,11b,12,13-tetrahydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylic acid
Chemical Structure Depiction of
4-chloro-13,13-dimethyl-7-oxo-7,11b,12,13-tetrahydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylic acid
4-chloro-13,13-dimethyl-7-oxo-7,11b,12,13-tetrahydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylic acid
Compound characteristics
| Compound ID: | 8017-1372 |
| Compound Name: | 4-chloro-13,13-dimethyl-7-oxo-7,11b,12,13-tetrahydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylic acid |
| Molecular Weight: | 355.82 |
| Molecular Formula: | C20 H18 Cl N O3 |
| Smiles: | CC1(C)CC2c3cccc(C(O)=O)c3C(N2Cc2c1cccc2[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5385 |
| logD: | 0.7385 |
| logSw: | -4.4569 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.161 |
| InChI Key: | SYLNMCYSTZGDKV-MRXNPFEDSA-N |