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Chemical ID: 7658337
Chemical ID:
7658337
Name [?]:
None
SMILES [?]:
Cc1ccn2c(c1)nc(c2NC(=O)c3cccc(c3OC)OC)c4ccccc4
InChi [?]:
InChI=1/C23H21N3O3/c1-15-12-13-26-19(14-15)24-20(16-8-5-4-6-9-16)22(26)25-23(27)17-10-7-11-18(28-2)21(17)29-3/h4-14H,1-3H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,23,21,27,26,28,16,25,29,15,17,3,4,7,2,24,14,18,6,9,19,10,12,8,11,5,13,22,20/E:(5,6)(8,9)/rA:29nCCCCNCCNCCNCOCCCCCCOCOCCCCCCC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s20;s18;s22;s9;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21N3O3 |
All Atoms: | 50 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.74088 |
Area: | 594.118 |
Solvation: | -6.11208 |
Coulombic: | -48.109 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.32 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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