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Chemical ID: 5828352
Chemical ID:
5828352
Name [?]:
None
SMILES [?]:
CC1(Cc2ccccc2-c3c1c(=O)n(c(n3)NCCO)Cc4ccccc4)C
InChi [?]:
InChI=1/C23H25N3O2/c1-23(2)14-17-10-6-7-11-18(17)20-19(23)21(28)26(22(25-20)24-12-13-27)15-16-8-4-3-5-9-16/h3-11,27H,12-15H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,28,25,24,26,6,7,23,27,5,8,18,19,3,21,22,4,9,11,10,12,15,2,17,16,14,20,13/E:(1,2)(4,5)(8,9)/rA:28nCCCCCCCCCCCCONCNNCCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s2d10;s11;d12;s12;s14;s10d15;s15;s17;s18;s19;s14;s21;s22;d23;s24;d25;d22s26;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25N3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6992 |
Area: | 558.055 |
Solvation: | -3.25221 |
Coulombic: | -54.169 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 375.464 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.52 |
LogP (Chemaxon): | 4.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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