methyl 4-[10-(ethylcarbamothioyl)-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Chemical Structure Depiction of
methyl 4-[10-(ethylcarbamothioyl)-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
methyl 4-[10-(ethylcarbamothioyl)-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Compound characteristics
| Compound ID: | Y600-1491 |
| Compound Name: | methyl 4-[10-(ethylcarbamothioyl)-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate |
| Molecular Weight: | 463.6 |
| Molecular Formula: | C26 H29 N3 O3 S |
| Smiles: | CCNC(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1ccc(cc1)C(=O)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9942 |
| logD: | 4.9923 |
| logSw: | -4.6488 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.808 |
| InChI Key: | KQKQWAMHRGXWTD-QHCPKHFHSA-N |