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Chemical ID: 7212909
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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