4-(5-chloro-2-methoxyphenyl)-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-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
4-(5-chloro-2-methoxyphenyl)-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: | G202-0834 |
| Compound Name: | 4-(5-chloro-2-methoxyphenyl)-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: | 524.01 |
| Molecular Formula: | C27 H23 Cl F N3 O3 S |
| Smiles: | Cn1c2c(C(C(NCc3ccc(cc3)F)=O)N(C(CS2)=O)c2cc(ccc2OC)[Cl])c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.494 |
| logD: | 4.494 |
| logSw: | -4.7441 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.319 |
| InChI Key: | CFGZNHMQFBJPQV-RUZDIDTESA-N |