Chemical ID: 4473313

CCCOc1ccc(cc1OC)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccccc4
Chemical ID:
4473313
Name [?]:
4-benzoyl-3-hydroxy-5-(3-methoxy-4-propoxy-phenyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1OC)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccccc4
InChi [?]:
InChI=1/C27H26N2O5/c1-3-14-34-21-12-11-20(15-22(21)33-2)24-23(25(30)19-9-5-4-6-10-19)26(31)27(32)29(24)17-18-8-7-13-28-16-18/h4-13,15-16,24,31H,3,14,17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,32,31,33,22,21,30,34,7,6,23,3,9,25,19,20,29,8,5,10,14,13,27,15,16,24,18,28,26,17,11,4/E:(5,6)(9,10)/rA:34cCCCOCCCCCCOCCCCCONCCCCCNCOCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;d14;s15;d16;s13s16;s18;s19;s20;d21;s22;d23;d20s24;s15;s14;d27;s27;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H26N2O5
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:9.6609
Area:702.296
Solvation:-7.89649
Coulombic:-62.501
Bond Count [?]
All:37
Single:25
Double:12
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:458.506
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.0
LogP (Chemaxon):2.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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