3-methyl-11-(4-methylphenyl)-3,4,5,11-tetrahydrodibenzo[b,e][1,4]thiazepin-1(2H)-one
Chemical Structure Depiction of
3-methyl-11-(4-methylphenyl)-3,4,5,11-tetrahydrodibenzo[b,e][1,4]thiazepin-1(2H)-one
3-methyl-11-(4-methylphenyl)-3,4,5,11-tetrahydrodibenzo[b,e][1,4]thiazepin-1(2H)-one
Compound characteristics
| Compound ID: | Y020-6102 |
| Compound Name: | 3-methyl-11-(4-methylphenyl)-3,4,5,11-tetrahydrodibenzo[b,e][1,4]thiazepin-1(2H)-one |
| Molecular Weight: | 335.47 |
| Molecular Formula: | C21 H21 N O S |
| Smiles: | CC1CC2=C(C(c3ccc(C)cc3)Sc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5781 |
| logD: | 5.578 |
| logSw: | -5.4736 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.6007 |
| InChI Key: | HXCUOMWEFYLIDI-UHFFFAOYSA-N |