6-formyl-5-methyl-5,6-dihydro-4H-[1,3]thiazolo[3,2-a][1,5]benzodiazepin-11-ium
Chemical Structure Depiction of
6-formyl-5-methyl-5,6-dihydro-4H-[1,3]thiazolo[3,2-a][1,5]benzodiazepin-11-ium
6-formyl-5-methyl-5,6-dihydro-4H-[1,3]thiazolo[3,2-a][1,5]benzodiazepin-11-ium
Compound characteristics
| Compound ID: | 8015-2136 |
| Compound Name: | 6-formyl-5-methyl-5,6-dihydro-4H-[1,3]thiazolo[3,2-a][1,5]benzodiazepin-11-ium |
| Molecular Weight: | 325.22 |
| Molecular Formula: | C13 H13 N2 O S |
| Salt: | Br- |
| Smiles: | CC1Cc2[n+](ccs2)c2ccccc2N1C=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.08 |
| logD: | 2.08 |
| logSw: | -2.2987 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 17.9686 |
| InChI Key: | KSLKVNOVBQWOTM-JTQLQIEISA-N |