Chemical ID: 7017718

CCCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OCC)CCCN(CC)CC)O
Chemical ID:
7017718
Name [?]:
4-(3-butoxybenzoyl)-1-(3-diethylaminopropyl)-5-(4-ethoxyphenyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OCC)CCCN(CC)CC)O
InChi [?]:
InChI=1/C30H40N2O5/c1-5-9-20-37-25-13-10-12-23(21-25)28(33)26-27(22-14-16-24(17-15-22)36-8-4)32(30(35)29(26)34)19-11-18-31(6-2)7-3/h10,12-17,21,27,34H,5-9,11,18-20H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,34,36,28,2,33,35,27,3,8,30,9,7,21,25,22,24,31,29,4,11,20,10,23,6,14,19,12,15,16,32,18,13,37,17,26,5/E:(2,3)(6,7)(14,15)(16,17)/rA:37cCCCCOCCCCCCCOCCCONCCCCCCCOCCCCCNCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;d12;s12;d14;s15;d16;s16;s14s18;s19;s20;d21;s22;d23;d20s24;s23;s26;s27;s18;s29;s30;s31;s32;s33;s32;s35;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H40N2O5
All Atoms:77
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:13.9381
Area:833.749
Solvation:-6.90564
Coulombic:-63.3418
Bond Count [?]
All:39
Single:30
Double:9
Rotors:15
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:508.649
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.86
LogP (Chemaxon):1.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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