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Chemical ID: 4576876
Chemical ID:
4576876
Name [?]:
None
SMILES [?]:
CC12c3c(c4cc(ccc4[nH]3)OC)CCN1C(=O)CN(C2=O)Cc5cccc(c5)OC
InChi [?]:
InChI=1/C24H25N3O4/c1-24-22-18(19-12-17(31-3)7-8-20(19)25-22)9-10-27(24)21(28)14-26(23(24)29)13-15-5-4-6-16(11-15)30-2/h4-8,11-12,25H,9-10,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,13,26,25,27,8,9,14,15,29,6,23,19,24,28,7,4,5,10,17,3,21,2,11,20,16,18,22,30,12/rA:31cCCCCCCCCCCNOCCCNCOCNCOCCCCCCCOC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s7;s12;s4;s14;s2s15;s16;d17;s17;s19;s2s20;d21;s20;s23;s24;d25;s26;d27;d24s28;s28;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25N3O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.38095 |
Area: | 607.27 |
Solvation: | -5.80079 |
Coulombic: | -59.8711 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 419.473 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.18 |
LogP (Chemaxon): | 1.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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