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Chemical ID: 7060611

CC(C)CCOc1ccc(cc1OC)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccncc4

Chemical ID:

7060611

Name [?]:

3-hydroxy-5-(4-isopentyloxy-3-methoxy-phenyl)-4-(4-pyridylcarbonyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one

SMILES [?]:

CC(C)CCOc1ccc(cc1OC)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccncc4

InChi [?]:

InChI=1/C28H29N3O5/c1-18(2)10-14-36-22-7-6-21(15-23(22)35-3)25-24(26(32)20-8-12-29-13-9-20)27(33)28(34)31(25)17-19-5-4-11-30-16-19/h4-9,11-13,15-16,18,25,33H,10,14,17H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,3,14,24,23,9,8,32,36,4,25,33,35,5,11,27,21,2,22,31,10,7,12,16,15,29,17,18,34,26,20,30,28,19,13,6/E:(1,2)(8,9)(12,13)/rA:36cCCCCCOCCCCCCOCCCCCONCCCCCNCOCOCCCNCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;d16;s17;d18;s15s18;s20;s21;s22;d23;s24;d25;d22s26;s17;s16;d29;s29;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₉N₃O₅
All Atoms:	65
Heavy Atoms:	36
Chiral Atoms:	None

ZAP Information [?]

Total:	9.82655
Area:	741.089
Solvation:	-8.70068
Coulombic:	-65.2714

Bond Count [?]

All:	39
Single:	27
Double:	12
Rotors:	10
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.82
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value