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Chemical ID: 4576303
Chemical ID:
4576303
Name [?]:
None
SMILES [?]:
CCCN1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2c5cccc6c5cccc6
InChi [?]:
InChI=1/C27H25N3O2/c1-2-14-29-16-24(31)30-23(27(29)32)15-21-19-11-5-6-13-22(19)28-25(21)26(30)20-12-7-9-17-8-3-4-10-18(17)20/h3-13,23,26,28H,2,14-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,31,30,16,17,25,32,26,29,15,24,18,3,12,5,27,28,14,23,13,19,9,6,21,22,10,20,4,8,7,11/rA:32cCCCNCCONCCOCCCCCCCCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s4s9;d10;s9;s12;s13;s14;d15;s16;d17;d14s18;s19;d13s20;s8s21;s22;s23;d24;s25;d26;d23s27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H25N3O2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.7801 |
Area: | 604.009 |
Solvation: | -3.32013 |
Coulombic: | -47.3251 |
Bond Count [?]
All: | 37 |
Single: | 26 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 423.506 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.99 |
LogP (Chemaxon): | 4.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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