Chemical ID: 4600042

CC(C)CC(C(=O)Oc1ccc2c(c1)occ(c2=O)c3ccc(cc3)[N+](=O)[O-])NC(=O)OC(C)(C)C
Chemical ID:
4600042
Name [?]:
[3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 4-methyl-2-tert-butoxycarbonylamino-pentanoate
SMILES [?]:
CC(C)CC(C(=O)Oc1ccc2c(c1)occ(c2=O)c3ccc(cc3)[N+](=O)[O-])NC(=O)OC(C)(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H28N2O8
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:9.68342
Area:750.955
Solvation:-9.09044
Coulombic:-81.3688
Bond Count [?]
All:38
Single:27
Double:11
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:496.509
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:5.69
LogP (Chemaxon):5.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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