Chemical ID: 7450851

CC(C)Oc1ccc(cc1)C(=C2C(N(C(=O)C2=O)Cc3ccc[nH+]c3)c4cccnc4)[O-]
Chemical ID:
7450851
Name [?]:
[4,5-dioxo-1-(1H-pyridin-5-ylmethyl)-2-(3-pyridyl)pyrrolidin-3-ylidene]-(4-isopropoxyphenyl)-methanolate
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=C2C(N(C(=O)C2=O)Cc3ccc[nH+]c3)c4cccnc4)[O-]
InChi [?]:
InChI=1/C25H23N3O4/c1-16(2)32-20-9-7-18(8-10-20)23(29)21-22(19-6-4-12-27-14-19)28(25(31)24(21)30)15-17-5-3-11-26-13-17/h3-14,16,22,29H,15H2,1-2H3
InChi Info:
AuxInfo=1/1/N:1,3,22,28,21,27,7,9,6,10,23,29,25,31,19,2,20,8,26,5,12,13,11,17,15,24,30,14,32,18,16,4/E:(1,2)(7,8)(9,10)/rA:32cCCCOCCCCCCCCCNCOCOCCCCCN+CCCCCNCO-/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;s14;d15;s12s15;d17;s14;s19;s20;d21;s22;d23;d20s24;s13;s26;d27;s28;d29;d26s30;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H23N3O4
All Atoms:55
Heavy Atoms:32
Chiral Atoms:None
ZAP Information [?]
Total:-41.3173
Area:598.044
Solvation:-56.2684
Coulombic:-38.6824
Bond Count [?]
All:35
Single:23
Double:12
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.56
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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