Chemical ID: 7019808

CCCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCCN(CC)CC)O)C(=O)c3cc(ccc3C)C
Chemical ID:
7019808
Name [?]:
1-(3-diethylaminopropyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(3-methoxy-4-pentoxy-phenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCCN(CC)CC)O)C(=O)c3cc(ccc3C)C
InChi [?]:
InChI=1/C32H44N2O5/c1-7-10-11-19-39-26-16-15-24(21-27(26)38-6)29-28(30(35)25-20-22(4)13-14-23(25)5)31(36)32(37)34(29)18-12-17-33(8-2)9-3/h13-16,20-21,29,36H,7-12,17-19H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,26,28,39,38,14,2,25,27,3,4,22,35,36,9,8,23,21,5,33,11,34,37,10,32,7,12,16,15,30,17,18,24,20,31,29,19,13,6/E:(2,3)(8,9)/rA:39cCCCCCOCCCCCCOCCCCCONCCCNCCCCOCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;d16;s17;d18;s15s18;s20;s21;s22;s23;s24;s25;s24;s27;s17;s16;d30;s30;s32;d33;s34;d35;d32s36;s37;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H44N2O5
All Atoms:83
Heavy Atoms:39
Chiral Atoms:1
ZAP Information [?]
Total:14.3042
Area:848.394
Solvation:-6.90563
Coulombic:-64.0457
Bond Count [?]
All:41
Single:32
Double:9
Rotors:15
Chiral:0
Rigid Segments:12
Chemical Properties
Molecular Weight:536.702
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:6.61
LogP (Chemaxon):2.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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