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Chemical ID: 4577383
Chemical ID:
4577383
Name [?]:
None
SMILES [?]:
CCCCOc1ccccc1C=CC23C(c4ccccc4N2CCC(=O)N3)(C)C
InChi [?]:
InChI=1/C25H30N2O2/c1-4-5-18-29-22-13-9-6-10-19(22)14-16-25-24(2,3)20-11-7-8-12-21(20)27(25)17-15-23(28)26-25/h6-14,16H,4-5,15,17-18H2,1-3H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,28,29,2,3,9,18,19,8,10,17,20,7,12,24,13,23,4,11,16,21,6,25,15,14,27,22,26,5/E:(2,3)/rA:29cCCCCOCCCCCCCCCCCCCCCCNCCCONCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;w12;s13;s14;s15;s16;d17;s18;d19;d16s20;s14s21;s22;s23;s24;d25;s14s25;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H30N2O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.7175 |
Area: | 563.178 |
Solvation: | -3.36194 |
Coulombic: | -38.3147 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 390.518 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.19 |
LogP (Chemaxon): | 6.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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