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Chemical ID: 7350601
Chemical ID:
7350601
Name [?]:
None
SMILES [?]:
CC(C)OCCCNC(=O)C1Cc2c3ccccc3[nH]c2C4N1C(=O)c5c4cccc5
InChi [?]:
InChI=1/C25H27N3O3/c1-15(2)31-13-7-12-26-24(29)21-14-19-16-8-5-6-11-20(16)27-22(19)23-17-9-3-4-10-18(17)25(30)28(21)23/h3-6,8-11,15,21,23,27H,7,12-14H2,1-2H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,3,29,30,16,17,6,15,28,31,18,7,5,12,2,14,27,26,13,19,11,21,22,9,24,8,20,23,10,25,4/E:(1,2)/rA:31cCCCOCCCNCOCCCCCCCCCNCCNCOCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;d13s20;s21;s11s22;s23;d24;s24;s22s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27N3O3 |
All Atoms: | 58 |
Heavy Atoms: | 31 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.7277 |
Area: | 655.621 |
Solvation: | -4.66279 |
Coulombic: | -59.0403 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 417.5 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.09 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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