Chemical ID: 4571112

Cc1ccc(cc1)CN2CC(=O)N3C(C2=O)Cc4c5ccccc5[nH]c4C3c6ccc(cc6)C(C)C
Chemical ID:
4571112
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)CN2CC(=O)N3C(C2=O)Cc4c5ccccc5[nH]c4C3c6ccc(cc6)C(C)C
InChi [?]:
InChI=1/C31H31N3O2/c1-19(2)22-12-14-23(15-13-22)30-29-25(24-6-4-5-7-26(24)32-29)16-27-31(36)33(18-28(35)34(27)30)17-21-10-8-20(3)9-11-21/h4-15,19,27,30,32H,16-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:35,36,1,21,22,20,23,3,7,4,6,30,32,29,33,17,8,10,34,2,5,31,28,19,18,24,14,11,26,27,15,25,9,13,12,16/E:(1,2)(8,9)(10,11)(12,13)(14,15)/rA:36cCCCCCCCCNCCONCCOCCCCCCCCNCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s11;s13;s9s14;d15;s14;s17;s18;s19;d20;s21;d22;d19s23;s24;d18s25;s13s26;s27;s28;d29;s30;d31;d28s32;s31;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H31N3O2
All Atoms:36
Heavy Atoms:36
Chiral Atoms:2
ZAP Information [?]
Total:13.9263
Area:696.146
Solvation:-3.47738
Coulombic:-48.0813
Bond Count [?]
All:41
Single:29
Double:12
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:477.597
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.49
LogP (Chemaxon):5.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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