methyl 4-[2-(10-oxo-2,3,10,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-9(1H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(10-oxo-2,3,10,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-9(1H)-yl)acetamido]benzoate
methyl 4-[2-(10-oxo-2,3,10,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-9(1H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | F403-0038 |
| Compound Name: | methyl 4-[2-(10-oxo-2,3,10,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-9(1H)-yl)acetamido]benzoate |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C22 H21 N3 O4 |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(C2CCCC2=Nc2ccccc12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9303 |
| logD: | 2.9301 |
| logSw: | -3.4811 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.687 |
| InChI Key: | RKUOETRURGVLQQ-INIZCTEOSA-N |