methyl 4-[10-(cyclopropanecarbonyl)-1-oxo-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Chemical Structure Depiction of
methyl 4-[10-(cyclopropanecarbonyl)-1-oxo-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
methyl 4-[10-(cyclopropanecarbonyl)-1-oxo-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Compound characteristics
| Compound ID: | 4780-0136 |
| Compound Name: | methyl 4-[10-(cyclopropanecarbonyl)-1-oxo-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C29 H26 N2 O4 S |
| Smiles: | COC(c1ccc(cc1)C1C2=C(CC(CC2=O)c2cccs2)Nc2ccccc2N1C(C1CC1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5855 |
| logD: | 5.3305 |
| logSw: | -5.5253 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.608 |
| InChI Key: | VWBWYTIBPZSSAF-UHFFFAOYSA-N |