ethyl [4-({2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
ethyl [4-({2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
ethyl [4-({2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F405-0271 |
| Compound Name: | ethyl [4-({2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 480.63 |
| Molecular Formula: | C26 H32 N4 O3 S |
| Smiles: | CCN(CC)c1ccc(c(C)c1)NC(CSC1C=C(CC(=O)OCC)Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5547 |
| logD: | 4.3454 |
| logSw: | -4.3031 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.522 |
| InChI Key: | IJHNNFPSWJOFNK-UHFFFAOYSA-N |