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Chemical ID: 4568093
Chemical ID:
4568093
Name [?]:
None
SMILES [?]:
CC(CCc1ccccc1)N2CC(=O)N3C(C2=O)Cc4c5ccccc5[nH]c4C3CCc6ccccc6
InChi [?]:
InChI=1/C32H33N3O2/c1-22(16-17-23-10-4-2-5-11-23)34-21-30(36)35-28(19-18-24-12-6-3-7-13-24)31-26(20-29(35)32(34)37)25-14-8-9-15-27(25)33-31/h2-15,22,28-29,33H,16-21H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,35,7,9,34,36,23,24,6,10,33,37,22,25,3,4,31,30,19,12,2,5,32,21,20,26,29,16,13,28,17,27,11,15,14,18/E:(4,5)(6,7)(10,11)(12,13)/rA:37cCCCCCCCCCCNCCONCCOCCCCCCCCNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2;s11;s12;d13;s13;s15;s11s16;d17;s16;s19;s20;s21;d22;s23;d24;d21s25;s26;d20s27;s15s28;s29;s30;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H33N3O2 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 14.8211 |
Area: | 721.214 |
Solvation: | -3.2092 |
Coulombic: | -49.1936 |
Bond Count [?]
All: | 42 |
Single: | 30 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 491.623 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.38 |
LogP (Chemaxon): | 5.79 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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