Chemical ID: 7018756

CCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3cc(ccc3C)C
Chemical ID:
7018756
Name [?]:
5-(4-butoxy-3-methoxy-phenyl)-1-(3-dimethylaminopropyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3cc(ccc3C)C
InChi [?]:
InChI=1/C29H38N2O5/c1-7-8-16-36-23-13-12-21(18-24(23)35-6)26-25(27(32)22-17-19(2)10-11-20(22)3)28(33)29(34)31(26)15-9-14-30(4)5/h10-13,17-18,26,33H,7-9,14-16H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,36,35,24,25,13,2,3,21,32,33,8,7,22,20,4,30,10,31,34,9,29,6,11,15,14,27,16,17,23,19,28,26,18,12,5/E:(4,5)/rA:36cCCCCOCCCCCCOCCCCCONCCCNCCOCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;d15;s16;d17;s14s17;s19;s20;s21;s22;s23;s23;s16;s15;d27;s27;s29;d30;s31;d32;d29s33;s34;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H38N2O5
All Atoms:74
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:12.3876
Area:770.72
Solvation:-6.88045
Coulombic:-63.5026
Bond Count [?]
All:38
Single:29
Double:9
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:494.622
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.2
LogP (Chemaxon):1.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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