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Chemical ID: 4578267
Chemical ID:
4578267
Name [?]:
None
SMILES [?]:
CCC(C)N1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2c5ccccc5C
InChi [?]:
InChI=1/C25H27N3O2/c1-4-16(3)27-14-22(29)28-21(25(27)30)13-19-18-11-7-8-12-20(18)26-23(19)24(28)17-10-6-5-9-15(17)2/h5-12,16,21,24,26H,4,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,4,2,27,26,17,18,28,25,16,19,13,6,29,3,24,15,14,20,10,7,22,23,11,21,5,9,8,12/rA:30cCCCCNCCONCCOCCCCCCCCNCCCCCCCCC/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s5s10;d11;s10;s13;s14;s15;d16;s17;d18;d15s19;s20;d14s21;s9s22;s23;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27N3O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 11.5956 |
Area: | 584.436 |
Solvation: | -3.01526 |
Coulombic: | -46.6169 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 401.501 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.62 |
LogP (Chemaxon): | 4.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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