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Chemical ID: 5391840
Chemical ID:
5391840
Name [?]:
None
SMILES [?]:
CCC(C)c1ccc(cc1)NC(=O)CN2C(=O)C3(CCc4c3cccc4)NC2=O
InChi [?]:
InChI=1/C23H25N3O3/c1-3-15(2)16-8-10-18(11-9-16)24-20(27)14-26-21(28)23(25-22(26)29)13-12-17-6-4-5-7-19(17)23/h4-11,15H,3,12-14H2,1-2H3,(H,24,27)(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,4,2,25,24,26,23,6,10,7,9,20,19,14,3,5,21,8,22,12,16,28,18,11,27,15,13,17,29/E:(8,9)(10,11)/rA:29cCCCCCCCCCCNCOCNCOCCCCCCCCCNCO/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;d16;s16;s18;s19;s20;s18s21;d22;s23;d24;d21s25;s18;s15s27;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25N3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.663 |
Area: | 615.912 |
Solvation: | -3.73484 |
Coulombic: | -62.3744 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 391.463 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.41 |
LogP (Chemaxon): | 3.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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