Chemical ID: 7022835

CCCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3ccc(c(c3)C)OCC
Chemical ID:
7022835
Name [?]:
1-(2-dimethylaminoethyl)-4-(4-ethoxy-3-methyl-benzoyl)-3-hydroxy-5-(3-methoxy-4-pentoxy-phenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3ccc(c(c3)C)OCC
InChi [?]:
InChI=1/C30H40N2O6/c1-7-9-10-17-38-24-14-11-21(19-25(24)36-6)27-26(29(34)30(35)32(27)16-15-31(4)5)28(33)22-12-13-23(37-8-2)20(3)18-22/h11-14,18-19,27,34H,7-10,15-17H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,38,35,24,25,14,2,37,3,4,9,30,31,8,22,21,5,34,11,33,10,29,32,7,12,16,15,27,17,18,23,20,28,26,19,13,36,6/E:(4,5)/rA:38cCCCCCOCCCCCCOCCCCCONCCNCCOCOCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;d16;s17;d18;s15s18;s20;s21;s22;s23;s23;s17;s16;d27;s27;s29;d30;s31;d32;d29s33;s33;s32;s36;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H40N2O6
All Atoms:78
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:11.7447
Area:831.924
Solvation:-9.05341
Coulombic:-69.211
Bond Count [?]
All:40
Single:31
Double:9
Rotors:14
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:524.648
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:5.1
LogP (Chemaxon):1.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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