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Chemical ID: 7315675
Chemical ID:
7315675
Name [?]:
None
SMILES [?]:
CC1CCC(CC1)NC(=O)CN2C(=O)C3(CCCc4c3cccc4)NC2=O
InChi [?]:
InChI=1/C21H27N3O3/c1-14-8-10-16(11-9-14)22-18(25)13-24-19(26)21(23-20(24)27)12-4-6-15-5-2-3-7-17(15)21/h2-3,5,7,14,16H,4,6,8-13H2,1H3,(H,22,25)(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,23,22,17,24,18,21,3,7,4,6,16,11,2,19,5,20,9,13,26,15,8,25,12,10,14,27/E:(8,9)(10,11)/rA:27cCCCCCCCNCOCNCOCCCCCCCCCCNCO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s18;s15s19;d20;s21;d22;d19s23;s15;s12s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27N3O3 |
All Atoms: | 54 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.9524 |
Area: | 572.491 |
Solvation: | -3.35991 |
Coulombic: | -62.6041 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 369.457 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.77 |
LogP (Chemaxon): | 2.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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