3-(4-methoxyphenyl)-8-methyl-11-(thiophen-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(4-methoxyphenyl)-8-methyl-11-(thiophen-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-methoxyphenyl)-8-methyl-11-(thiophen-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y600-1335 |
| Compound Name: | 3-(4-methoxyphenyl)-8-methyl-11-(thiophen-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 512.55 |
| Molecular Formula: | C27 H23 F3 N2 O3 S |
| Smiles: | Cc1ccc2c(c1)N(C(C1=C(CC(CC1=O)c1ccc(cc1)OC)N2)c1cccs1)C(C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0849 |
| logD: | 5.5502 |
| logSw: | -5.4664 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.727 |
| InChI Key: | PURXEQFBZQESMW-UHFFFAOYSA-N |