4-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Chemical Structure Depiction of
4-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
4-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0871 |
| Compound Name: | 4-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 508.01 |
| Molecular Formula: | C27 H23 Cl F N3 O2 S |
| Smiles: | Cn1c2c(C(C(NCc3ccc(cc3)F)=O)N(Cc3ccc(cc3)[Cl])C(CS2)=O)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6982 |
| logD: | 4.6982 |
| logSw: | -4.8598 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.601 |
| InChI Key: | ABOMAPYLQNMRAA-RUZDIDTESA-N |