3,3-dimethyl-10-{[(4-methylpyrimidin-2-yl)sulfanyl]acetyl}-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3,3-dimethyl-10-{[(4-methylpyrimidin-2-yl)sulfanyl]acetyl}-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3,3-dimethyl-10-{[(4-methylpyrimidin-2-yl)sulfanyl]acetyl}-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y020-2254 |
| Compound Name: | 3,3-dimethyl-10-{[(4-methylpyrimidin-2-yl)sulfanyl]acetyl}-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 490.65 |
| Molecular Formula: | C26 H26 N4 O2 S2 |
| Smiles: | Cc1ccnc(n1)SCC(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5424 |
| logD: | 4.2047 |
| logSw: | -4.3591 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.187 |
| InChI Key: | KSMKJGIKSBKKFX-DEOSSOPVSA-N |