ethyl [4-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
ethyl [4-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
ethyl [4-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F405-0262 |
| Compound Name: | ethyl [4-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C23 H23 N3 O5 S |
| Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SCC(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7501 |
| logD: | 2.75 |
| logSw: | -3.3076 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.307 |
| InChI Key: | GVOLBHLATOTJJN-UHFFFAOYSA-N |