methyl [4-({2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
methyl [4-({2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
methyl [4-({2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F405-0046 |
| Compound Name: | methyl [4-({2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C25 H30 N4 O3 S |
| Smiles: | CCN(CC)c1ccc(c(C)c1)NC(CSC1C=C(CC(=O)OC)Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.102 |
| logD: | 3.8928 |
| logSw: | -4.174 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.942 |
| InChI Key: | OCOWHVUQPROAEX-UHFFFAOYSA-N |