Chemical ID: 4520727

c1ccc(cc1)NCN2C(=O)C3C4c5ccccc5C(C3C2=O)c6c4cccc6
Chemical ID:
4520727
Name [?]:
None
SMILES [?]:
c1ccc(cc1)NCN2C(=O)C3C4c5ccccc5C(C3C2=O)c6c4cccc6
InChi [?]:
InChI=1/C25H20N2O2/c28-24-22-20-16-10-4-5-11-17(16)21(19-13-7-6-12-18(19)20)23(22)25(29)27(24)14-26-15-8-2-1-3-9-15/h1-13,20-23,26H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,16,17,27,28,3,5,15,18,26,29,8,4,14,19,25,24,13,20,12,21,10,22,7,9,11,23/E:(2,3)(4,5,6,7)(8,9)(10,11,12,13)(16,17,18,19)(20,21)(22,23)(24,25)(28,29)/rA:29cCCCCCCNCNCOCCCCCCCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s12s20;s9s21;d22;s20;s13s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H20N2O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:10.4505
Area:548.508
Solvation:-3.26221
Coulombic:-38.4122
Bond Count [?]
All:34
Single:23
Double:11
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:380.439
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.18
LogP (Chemaxon):4.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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