ethyl (1-{[4-(thiophen-2-yl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}cyclohexyl)acetate
Chemical Structure Depiction of
ethyl (1-{[4-(thiophen-2-yl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}cyclohexyl)acetate
ethyl (1-{[4-(thiophen-2-yl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}cyclohexyl)acetate
Compound characteristics
| Compound ID: | G281-1409 |
| Compound Name: | ethyl (1-{[4-(thiophen-2-yl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}cyclohexyl)acetate |
| Molecular Weight: | 537.74 |
| Molecular Formula: | C29 H35 N3 O3 S2 |
| Smiles: | CCOC(CC1(CCCCC1)NC(N1Cc2c3CCCCc3sc2n2cccc2C1c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.73 |
| logD: | 6.73 |
| logSw: | -5.4439 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.485 |
| InChI Key: | OCYZEIYKXUHXFF-AREMUKBSSA-N |