methyl (7,8-dimethyl-4-sulfanylidene-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (7,8-dimethyl-4-sulfanylidene-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
methyl (7,8-dimethyl-4-sulfanylidene-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | C201-1477 |
| Compound Name: | methyl (7,8-dimethyl-4-sulfanylidene-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 276.35 |
| Molecular Formula: | C14 H16 N2 O2 S |
| Smiles: | Cc1cc2c(cc1C)NC(C=C(CC(=O)OC)N2)=S |
| Stereo: | ACHIRAL |
| logP: | 2.839 |
| logD: | 2.8316 |
| logSw: | -3.1656 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.412 |
| InChI Key: | GREGUTLWJKSJGC-UHFFFAOYSA-N |