Chemical ID: 7035965

CCCCCOc1cccc(c1)C2C(=C(C(=O)N2Cc3ccccc3)O)C(=O)c4ccc(cc4)OC
Chemical ID:
7035965
Name [?]:
1-benzyl-3-hydroxy-4-(4-methoxybenzoyl)-5-(3-pentoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCCOc1cccc(c1)C2C(=C(C(=O)N2Cc3ccccc3)O)C(=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C30H31NO5/c1-3-4-8-18-36-25-13-9-12-23(19-25)27-26(28(32)22-14-16-24(35-2)17-15-22)29(33)30(34)31(27)20-21-10-6-5-7-11-21/h5-7,9-17,19,27,33H,3-4,8,18,20H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,36,2,3,23,22,24,4,9,21,25,10,8,30,34,31,33,5,12,19,20,29,11,32,7,14,13,27,15,16,18,28,26,17,35,6/E:(6,7)(10,11)(14,15)(16,17)/rA:36cCCCCCOCCCCCCCCCCONCCCCCCCOCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;d14;s15;d16;s13s16;s18;s19;s20;d21;s22;d23;d20s24;s15;s14;d27;s27;s29;d30;s31;d32;d29s33;s32;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H31NO5
All Atoms:67
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:12.8817
Area:764.824
Solvation:-6.23886
Coulombic:-60.6115
Bond Count [?]
All:39
Single:27
Double:12
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:485.571
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:6.66
LogP (Chemaxon):5.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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