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Chemical ID: 4581480
Chemical ID:
4581480
Name [?]:
None
SMILES [?]:
Cc1ccccc1C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)CCOC
InChi [?]:
InChI=1/C24H25N3O3/c1-15-7-3-4-8-16(15)23-22-18(17-9-5-6-10-19(17)25-22)13-20-24(29)26(11-12-30-2)14-21(28)27(20)23/h3-10,20,23,25H,11-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,4,5,13,14,3,6,12,15,27,28,18,23,2,7,11,10,16,19,21,9,8,25,17,24,20,22,26,29/rA:30cCCCCCCCCCCCCCCCCNCCNCOCNCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s10;s18;s8s19;s20;d21;s21;s23;s19s24;d25;s24;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25N3O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.02469 |
Area: | 587.121 |
Solvation: | -5.65334 |
Coulombic: | -52.0207 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 403.474 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.19 |
LogP (Chemaxon): | 2.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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