Chemical ID: 7458695

CN(C)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4cccc(c4)N(=O)=O
Chemical ID:
7458695
Name [?]:
None
SMILES [?]:
CN(C)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4cccc(c4)N(=O)=O
InChi [?]:
InChI=1/C22H21N3O5/c1-23(2)11-6-12-24-19(14-7-5-8-15(13-14)25(28)29)18-20(26)16-9-3-4-10-17(16)30-21(18)22(24)27/h3-5,7-10,13,19H,6,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,14,15,24,5,23,25,13,16,4,6,27,22,26,12,17,9,8,10,19,20,2,7,28,11,21,29,30,18/E:(1,2)(28,29)/CRV:25.5/rA:30cCNCCCCNCCCOCCCCCCOCCOCCCCCCNOO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s7s19;d20;s8;s22;d23;s24;d25;d22s26;s26;d28;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21N3O5
All Atoms:51
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:5.77069
Area:598.573
Solvation:-9.19362
Coulombic:-51.523
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:407.419
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.52
LogP (Chemaxon):2.64

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Experimental Annotations

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Descriptor Annotations

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