Chemical ID: 4579776

CC(c1ccccc1)N2Cc3c(ccc4c3oc(=O)c5c4cccc5)OC2
Chemical ID:
4579776
Name [?]:
None
SMILES [?]:
CC(c1ccccc1)N2Cc3c(ccc4c3oc(=O)c5c4cccc5)OC2
InChi [?]:
InChI=1/C23H19NO3/c1-15(16-7-3-2-4-8-16)24-13-20-21(26-14-24)12-11-18-17-9-5-6-10-19(17)23(25)27-22(18)20/h2-12,15H,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,23,24,4,8,22,25,14,13,10,27,2,3,21,15,20,11,12,16,18,9,19,26,17/E:(3,4)(7,8)/rA:27cCCCCCCCCNCCCCCCCOCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;d18;s18;s15s20;d21;s22;d23;d20s24;s12;s9s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H19NO3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:10.2366
Area:543.032
Solvation:-3.33923
Coulombic:-35.0247
Bond Count [?]
All:31
Single:21
Double:10
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:357.402
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.27
LogP (Chemaxon):5.13

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Descriptor Annotations

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