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Chemical ID: 4570776
Chemical ID:
4570776
Name [?]:
None
SMILES [?]:
CC(C)C(C(=O)Nc1ccc(cc1)OC)NC(=O)N2CC3CC(C2)c4cccc(=O)n4C3
InChi [?]:
InChI=1/C24H30N4O4/c1-15(2)22(23(30)25-18-7-9-19(32-3)10-8-18)26-24(31)27-12-16-11-17(14-27)20-5-4-6-21(29)28(20)13-16/h4-10,15-17,22H,11-14H2,1-3H3,(H,25,30)(H,26,31)
InChi Info:
AuxInfo=1/1/N:1,3,15,27,26,28,9,13,10,12,22,20,32,24,2,21,23,8,11,25,29,4,5,17,7,16,19,31,30,6,18,14/E:(1,2)(7,8)(9,10)/rA:32cCCCCCONCCCCCCOCNCONCCCCCCCCCCONC/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;s14;s4;s16;d17;s17;s19;s20;s21;s22;s19s23;s23;d25;s26;d27;s28;d29;s25s29;s21s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H30N4O4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 10.3861 |
Area: | 632.157 |
Solvation: | -5.41781 |
Coulombic: | -73.8624 |
Bond Count [?]
All: | 35 |
Single: | 27 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 438.52 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 1.25 |
LogP (Chemaxon): | 1.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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