N-(acridin-9-yl)-10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(acridin-9-yl)-10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(acridin-9-yl)-10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C700-0571 |
| Compound Name: | N-(acridin-9-yl)-10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 604.08 |
| Molecular Formula: | C34 H22 Cl N3 O4 S |
| Smiles: | C(c1cccc(c1)[Cl])N1C(c2ccccc2S(c2ccc(cc12)C(Nc1c2ccccc2nc2ccccc12)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0871 |
| logD: | 4.629 |
| logSw: | -6.2159 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.122 |
| InChI Key: | MLPAGYMFKAHKRP-UHFFFAOYSA-N |