Chemical ID: 6918719

CN1CCc2c3ccccc3[nH]c2C1CC4CC5c6c(c7ccccc7[nH]6)CCN5CC4C=C
Chemical ID:
6918719
Name [?]:
None
SMILES [?]:
CN1CCc2c3ccccc3[nH]c2C1CC4CC5c6c(c7ccccc7[nH]6)CCN5CC4C=C
InChi [?]:
InChI=1/C30H34N4/c1-3-19-18-34-15-13-24-22-9-5-7-11-26(22)32-30(24)28(34)17-20(19)16-27-29-23(12-14-33(27)2)21-8-4-6-10-25(21)31-29/h3-11,19-20,27-28,31-32H,1,12-18H2,2H3
InChi Info:
AuxInfo=1/0/N:34,1,33,8,23,9,24,7,22,10,25,4,28,3,29,15,17,31,32,16,6,21,5,20,11,26,14,18,13,19,12,27,2,30/rA:34cCNCCCCCCCCCNCCCCCCCCCCCCCCNCCNCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;d5s12;s2s13;s14;s15;s16;s17;s18;d19;s20;s21;d22;s23;d24;d21s25;s19s26;s20;s28;s18s29;s30;s16s31;s32;d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H34N4
All Atoms:68
Heavy Atoms:34
Chiral Atoms:6
ZAP Information [?]
Total:13.7241
Area:662.422
Solvation:-2.83648
Coulombic:-35.5802
Bond Count [?]
All:40
Single:31
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:450.618
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.99
LogP (Chemaxon):5.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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