Chemical ID: 4614487

CC1(CC2=C(C(Nc3cc(ccc3N2)C(=O)c4ccccc4)c5ccc(cc5)N(C)C)C(=O)C1)C
Chemical ID:
4614487
Name [?]:
None
SMILES [?]:
CC1(CC2=C(C(Nc3cc(ccc3N2)C(=O)c4ccccc4)c5ccc(cc5)N(C)C)C(=O)C1)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/h5-16,28,31-32H,17-18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,35,30,31,20,19,21,18,22,24,28,11,25,27,12,9,3,34,23,17,10,26,13,8,4,32,5,6,15,2,14,7,29,33,16/E:(1,2)(3,4)(6,7)(8,9)(10,11)(13,14)/rA:35cCCCCCCNCCCCCCNCOCCCCCCCCCCCCNCCCOCC/rB:s1;s2;s3;d4;s5;s6;s7;s8;d9;s10;d11;d8s12;s4s13;s10;d15;s15;s17;d18;s19;d20;d17s21;s6;s23;d24;s25;d26;d23s27;s26;s29;s29;s5;d32;s2s32;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H31N3O2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:13.3624
Area:687.753
Solvation:-3.83142
Coulombic:-47.8226
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:5.84
LogP (Chemaxon):5.19

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue