Chemical ID: 4578740

c1ccc(cc1)CCN2Cc3c(ccc4c3oc(=O)cc4c5ccccc5)OC2
Chemical ID:
4578740
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CCN2Cc3c(ccc4c3oc(=O)cc4c5ccccc5)OC2
InChi [?]:
InChI=1/C25H21NO3/c27-24-15-21(19-9-5-2-6-10-19)20-11-12-23-22(25(20)29-24)16-26(17-28-23)14-13-18-7-3-1-4-8-18/h1-12,15H,13-14,16-17H2
InChi Info:
AuxInfo=1/0/N:1,25,2,6,24,26,3,5,23,27,14,13,7,8,20,10,29,4,22,15,21,11,12,18,16,9,19,28,17/E:(3,4)(5,6)(7,8)(9,10)/rA:29cCCCCCCCCNCCCCCCCOCOCCCCCCCCOC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;d18;s18;s15d20;s21;s22;d23;s24;d25;d22s26;s12;s9s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H21NO3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.2642
Area:602.688
Solvation:-3.80301
Coulombic:-34.5565
Bond Count [?]
All:33
Single:22
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:383.439
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.09
LogP (Chemaxon):5.65

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Descriptor Annotations

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