Chemical ID: 5178748

Cc1c2ccncc2c(c3c1n(c4c3cc(cc4)OC)CCCN5C(=O)c6ccccc6C5=O)C
Chemical ID:
5178748
Name [?]:
None
SMILES [?]:
Cc1c2ccncc2c(c3c1n(c4c3cc(cc4)OC)CCCN5C(=O)c6ccccc6C5=O)C
InChi [?]:
InChI=1/C29H25N3O3/c1-17-24-16-30-12-11-20(24)18(2)27-26(17)23-15-19(35-3)9-10-25(23)31(27)13-6-14-32-28(33)21-7-4-5-8-22(21)29(32)34/h4-5,7-12,15-16H,6,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:35,1,20,29,30,22,28,31,17,18,4,5,21,23,15,7,9,2,16,3,27,32,14,8,13,10,11,25,33,6,12,24,26,34,19/E:(4,5)(7,8)(21,22)(28,29)(33,34)/rA:35nCCCCCNCCCCCNCCCCCCOCCCCNCOCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;d2s10;s11;s12;s10s13;d14;s15;d16;d13s17;s16;s19;s12;s21;s22;s23;s24;d25;s25;s27;d28;s29;d30;d27s31;s24s32;d33;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H25N3O3
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:12.0597
Area:674.92
Solvation:-4.81325
Coulombic:-44.9188
Bond Count [?]
All:40
Single:27
Double:13
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:463.527
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.71
LogP (Chemaxon):4.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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