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Chemical ID: 7461726
Chemical ID:
7461726
Name [?]:
None
SMILES [?]:
CCOCCCN1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2c5cccc(c5)N(=O)=O
InChi [?]:
InChI=1/C25H26N4O5/c1-2-34-12-6-11-27-15-22(30)28-21(25(27)31)14-19-18-9-3-4-10-20(18)26-23(19)24(28)16-7-5-8-17(13-16)29(32)33/h3-5,7-10,13,21,24,26H,2,6,11-12,14-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,19,20,28,5,27,29,18,21,6,4,31,15,8,26,30,17,16,22,12,9,24,25,13,23,7,11,32,10,14,33,34,3/E:(32,33)/CRV:29.5/rA:34cCCOCCCNCCONCCOCCCCCCCCNCCCCCCCCNOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s7s12;d13;s12;s15;s16;s17;d18;s19;d20;d17s21;s22;d16s23;s11s24;s25;s26;d27;s28;d29;d26s30;s30;d32;d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N4O5 |
All Atoms: | 60 |
Heavy Atoms: | 34 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.43898 |
Area: | 680.762 |
Solvation: | -9.58008 |
Coulombic: | -65.5243 |
Bond Count [?]
All: | 38 |
Single: | 27 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 462.498 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 8 |
XLogP: | 2.43 |
LogP (Chemaxon): | 2.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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