Chemical ID: 7182406

CC1(CC(=O)C2C(Nc3cc(ccc3NC2=C1)C(=O)c4ccccc4)c5ccc(cc5)N(C)C)C
Chemical ID:
7182406
Name [?]:
None
SMILES [?]:
CC1(CC(=O)C2C(Nc3cc(ccc3NC2=C1)C(=O)c4ccccc4)c5ccc(cc5)N(C)C)C
InChi [?]:
InChI=1/C30H31N3O2/c1-30(2)17-25-27(26(34)18-30)28(19-10-13-22(14-11-19)33(3)4)32-24-16-21(12-15-23(24)31-25)29(35)20-8-6-5-7-9-20/h5-17,27-28,31-32H,18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,35,33,34,23,22,24,21,25,27,31,12,28,30,13,10,17,3,26,20,11,29,14,9,16,4,6,7,18,2,15,8,32,5,19/E:(1,2)(3,4)(6,7)(8,9)(10,11)(13,14)/rA:35cCCCCOCCNCCCCCCNCCCOCCCCCCCCCCCCNCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s6s15;s2d16;s11;d18;s18;s20;d21;s22;d23;d20s24;s7;s26;d27;s28;d29;d26s30;s29;s32;s32;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H31N3O2
All Atoms:66
Heavy Atoms:35
Chiral Atoms:2
ZAP Information [?]
Total:13.285
Area:687.124
Solvation:-3.8931
Coulombic:-47.6311
Bond Count [?]
All:39
Single:27
Double:12
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:465.586
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.68
LogP (Chemaxon):5.28

Name Annotations

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Descriptor Annotations

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