ethyl [4-({2-[(2,3-dihydro-1H-inden-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
ethyl [4-({2-[(2,3-dihydro-1H-inden-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
ethyl [4-({2-[(2,3-dihydro-1H-inden-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F405-0902 |
| Compound Name: | ethyl [4-({2-[(2,3-dihydro-1H-inden-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C24 H25 N3 O3 S |
| Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SCC(Nc1ccc2CCCc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5906 |
| logD: | 4.5906 |
| logSw: | -4.286 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.77 |
| InChI Key: | GRSPQCRGULYFCH-UHFFFAOYSA-N |