Chemical ID: 7017697

CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)C(C)C)CCCN(CC)CC)O
Chemical ID:
7017697
Name [?]:
1-(3-diethylaminopropyl)-3-hydroxy-5-(4-isopropylphenyl)-4-(3-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)C(C)C)CCCN(CC)CC)O
InChi [?]:
InChI=1/C30H40N2O4/c1-6-19-36-25-12-9-11-24(20-25)28(33)26-27(23-15-13-22(14-16-23)21(4)5)32(30(35)29(26)34)18-10-17-31(7-2)8-3/h9,11-16,20-21,27,34H,6-8,10,17-19H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,33,35,26,27,2,32,34,7,29,8,6,21,23,20,24,30,28,3,10,25,22,19,9,5,13,18,11,14,15,31,17,12,36,16,4/E:(2,3)(4,5)(7,8)(13,14)(15,16)/rA:36cCCCOCCCCCCCOCCCONCCCCCCCCCCCCCNCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s22;s25;s25;s17;s28;s29;s30;s31;s32;s31;s34;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H40N2O4
All Atoms:76
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:14.7816
Area:810.201
Solvation:-5.47347
Coulombic:-57.1505
Bond Count [?]
All:38
Single:29
Double:9
Rotors:13
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:492.65
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:6.36
LogP (Chemaxon):1.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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