Chemical ID: 4582121

Cc1c2c(cc3c1OCN(C3)CC(C)c4ccccc4)c5ccccc5c(=O)o2
Chemical ID:
4582121
Name [?]:
None
SMILES [?]:
Cc1c2c(cc3c1OCN(C3)CC(C)c4ccccc4)c5ccccc5c(=O)o2
InChi [?]:
InChI=1/C25H23NO3/c1-16(18-8-4-3-5-9-18)13-26-14-19-12-22-20-10-6-7-11-21(20)25(27)29-24(22)17(2)23(19)28-15-26/h3-12,16H,13-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:14,1,18,17,19,23,24,16,20,22,25,5,12,11,9,13,2,15,6,21,26,4,7,3,27,10,28,8,29/E:(4,5)(8,9)/rA:29cCCCCCCCOCNCCCCCCCCCCCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s6s10;s10;s12;s13;s13;s15;d16;s17;d18;d15s19;s4;s21;d22;s23;d24;d21s25;s26;d27;s3s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H23NO3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:11.1097
Area:593.712
Solvation:-3.73313
Coulombic:-34.6979
Bond Count [?]
All:33
Single:23
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:385.455
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.42
LogP (Chemaxon):5.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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