Chemical ID: 4421788

CC(C)c1ccc(cc1)C2C(=C(C(=O)N2Cc3ccncc3)O)C(=O)c4ccc(cc4)OC
Chemical ID:
4421788
Name [?]:
3-hydroxy-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-1-(4-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
CC(C)c1ccc(cc1)C2C(=C(C(=O)N2Cc3ccncc3)O)C(=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C27H26N2O4/c1-17(2)19-4-6-20(7-5-19)24-23(25(30)21-8-10-22(33-3)11-9-21)26(31)27(32)29(24)16-18-12-14-28-15-13-18/h4-15,17,24,31H,16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,33,5,9,6,8,27,31,28,30,18,22,19,21,16,2,17,4,7,26,29,11,10,24,12,13,20,15,25,23,14,32/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:33cCCCCCCCCCCCCCONCCCCNCCOCOCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;s10s13;s15;s16;s17;d18;s19;d20;d17s21;s12;s11;d24;s24;s26;d27;s28;d29;d26s30;s29;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H26N2O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:11.351
Area:683.976
Solvation:-5.74835
Coulombic:-55.994
Bond Count [?]
All:36
Single:24
Double:12
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:442.506
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.98
LogP (Chemaxon):3.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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