11-(5-bromothiophen-2-yl)-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(5-bromothiophen-2-yl)-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(5-bromothiophen-2-yl)-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y508-1574 |
| Compound Name: | 11-(5-bromothiophen-2-yl)-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 459.4 |
| Molecular Formula: | C22 H23 Br N2 O2 S |
| Smiles: | CCC(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1ccc(s1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1674 |
| logD: | 4.8297 |
| logSw: | -4.993 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.927 |
| InChI Key: | JYZJZEPBFUKESQ-NRFANRHFSA-N |