Chemical ID: 7212909

CCCCCC(=O)N1c2ccccc2NC3=CC(CC(=O)C3C1c4ccc(c(c4)OC)OC)c5ccc(cc5)C(C)(C)C
Chemical ID:
7212909
Name [?]:
None
SMILES [?]:
CCCCCC(=O)N1c2ccccc2NC3=CC(CC(=O)C3C1c4ccc(c(c4)OC)OC)c5ccc(cc5)C(C)(C)C
InChi [?]:
InChI=1/C37H44N2O4/c1-7-8-9-14-34(41)39-30-13-11-10-12-28(30)38-29-21-26(24-15-18-27(19-16-24)37(2,3)4)22-31(40)35(29)36(39)25-17-20-32(42-5)33(23-25)43-6/h10-13,15-21,23,26,35-36,38H,7-9,14,22H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,41,42,43,33,31,2,3,4,12,11,13,10,5,35,39,25,36,38,26,17,19,29,34,24,18,37,14,16,9,20,27,28,6,22,23,40,15,8,21,7,32,30/E:(2,3,4)(15,16)(18,19)/rA:43cCCCCCCONCCCCCCNCCCCCOCCCCCCCCOCOCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s15;d16;s17;s18;s19;d20;s16s20;s8s22;s23;s24;d25;s26;d27;d24s28;s28;s30;s27;s32;s18;s34;d35;s36;d37;d34s38;s37;s40;s40;s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C37H44N2O4
All Atoms:87
Heavy Atoms:43
Chiral Atoms:3
ZAP Information [?]
Total:12.9259
Area:820.234
Solvation:-7.57995
Coulombic:-49.8926
Bond Count [?]
All:47
Single:35
Double:12
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:580.756
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:7.58
LogP (Chemaxon):7.04

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Descriptor Annotations

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