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Predict NMR spectrum
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| InChI: |
1S/C37H40N2O6.2ClH/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33;;/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41);2*1H/t28?,29-;;/m1../s1 |
| InChIKey: |
GXFZCDMWGMFGFL-LQRXZVNRSA-N |
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| H donor: |
2 |
| H acceptor: |
8 |
| Rotatable bond: |
2 |
| Stereocenter: |
2 |
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| cLogP: |
6.595 |
| cLogS: |
-6.441 |
| Polar surface: |
80.62 |
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