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Chemical ID: 4898962
Chemical ID:
4898962
Name [?]:
None
SMILES [?]:
CCOC(=O)C1CCN(CC1)C(=O)c2cc3c(nc4c(cccn4c3=O)C)n(c2=N)CCOC
InChi [?]:
InChI=1/C24H29N5O5/c1-4-34-24(32)16-7-10-27(11-8-16)22(30)17-14-18-21(28(19(17)25)12-13-33-3)26-20-15(2)6-5-9-29(20)23(18)31/h5-6,9,14,16,25H,4,7-8,10-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,34,2,22,21,7,11,23,8,10,31,32,15,20,6,14,16,29,19,17,12,25,4,30,18,9,28,24,13,26,5,33,3/E:(7,8)(10,11)/rA:34nCCOCOCCCNCCCOCCCCNCCCCCNCOCNCNCCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;d14;s15;d16;s17;d18;s19;d20;s21;d22;s19s23;s16s24;d25;s20;s17;s14s28;w29;s28;s31;s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H29N5O5 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2326 |
Area: | 701.486 |
Solvation: | -5.3046 |
Coulombic: | -82.7439 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 467.518 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 0.64 |
LogP (Chemaxon): | 2.09 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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