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Chemical ID: 7346715
Chemical ID:
7346715
Name [?]:
None
SMILES [?]:
CC(C)C(C(=O)NCCc1ccccc1)NC(=O)C2Cc3c4ccccc4[nH]c3C5N2C(=O)c6c5cccc6
InChi [?]:
InChI=1/C32H32N4O3/c1-19(2)27(31(38)33-17-16-20-10-4-3-5-11-20)35-30(37)26-18-24-21-12-8-9-15-25(21)34-28(24)29-22-13-6-7-14-23(22)32(39)36(26)29/h3-15,19,26-27,29,34H,16-18H2,1-2H3,(H,33,38)(H,35,37)
InChi Info:
AuxInfo=1/1/N:1,3,13,12,14,37,38,24,25,11,15,23,36,39,26,9,8,20,2,10,22,35,34,21,27,19,4,29,30,17,5,32,7,28,16,31,18,6,33/E:(1,2)(4,5)(10,11)/rA:39cCCCCCONCCCCCCCCNCOCCCCCCCCCNCCNCOCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s4;s16;d17;s17;s19;s20;s21;s22;d23;s24;d25;d22s26;s27;d21s28;s29;s19s30;s31;d32;s32;s30s34;d35;s36;d37;d34s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H32N4O3 |
All Atoms: | 71 |
Heavy Atoms: | 39 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 14.578 |
Area: | 755.216 |
Solvation: | -4.30244 |
Coulombic: | -75.042 |
Bond Count [?]
All: | 44 |
Single: | 31 |
Double: | 13 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 520.622 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.26 |
LogP (Chemaxon): | 4.39 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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