ethyl (4-{[1-(3-methylanilino)-1-oxopropan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
ethyl (4-{[1-(3-methylanilino)-1-oxopropan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
ethyl (4-{[1-(3-methylanilino)-1-oxopropan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
Compound ID: | F405-0433 |
Compound Name: | ethyl (4-{[1-(3-methylanilino)-1-oxopropan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
Molecular Weight: | 423.53 |
Molecular Formula: | C23 H25 N3 O3 S |
Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SC(C)C(Nc1cccc(C)c1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.5981 |
logD: | 4.5981 |
logSw: | -4.2964 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 64.697 |
InChI Key: | HSNZTKGQXJIWHB-INIZCTEOSA-N |