ethyl (4-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
ethyl (4-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl)acetate
ethyl (4-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0718 |
| Compound Name: | ethyl (4-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 502.43 |
| Molecular Formula: | C23 H24 Br N3 O3 S |
| Smiles: | CCOC(CC1=CC(=Nc2cc(C)c(C)cc2N1)SCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5431 |
| logD: | 5.543 |
| logSw: | -5.365 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.484 |
| InChI Key: | KSIWVSUWOISFQC-UHFFFAOYSA-N |