1-(3-methyl-4-sulfanylidene-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(3-methyl-4-sulfanylidene-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)ethan-1-one
1-(3-methyl-4-sulfanylidene-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8015-2135 |
| Compound Name: | 1-(3-methyl-4-sulfanylidene-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)ethan-1-one |
| Molecular Weight: | 234.32 |
| Molecular Formula: | C12 H14 N2 O S |
| Smiles: | CC1CN(C(C)=O)c2ccccc2NC1=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0024 |
| logD: | 0.7176 |
| logSw: | -2.4539 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.4302 |
| InChI Key: | SEKLLXUEKZGXLL-QMMMGPOBSA-N |