[1-({[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}methyl)cyclohexyl]acetic acid
Chemical Structure Depiction of
[1-({[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}methyl)cyclohexyl]acetic acid
[1-({[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}methyl)cyclohexyl]acetic acid
Compound characteristics
| Compound ID: | Y041-7572 |
| Compound Name: | [1-({[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}methyl)cyclohexyl]acetic acid |
| Molecular Weight: | 538.64 |
| Molecular Formula: | C30 H38 N2 O7 |
| Smiles: | CC(N[C@H]1CCc2cc(c(c(c2C2=CC=C(C(C=C12)=O)NCC1(CCCCC1)CC(O)=O)OC)OC)OC)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.9758 |
| logD: | -0.7836 |
| logSw: | -2.4489 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.335 |
| InChI Key: | WJWHEQSQXRAVBC-QFIPXVFZSA-N |