Chemical ID: 7035062

CCCCCOc1cccc(c1)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3ccc(cc3)Cl
Chemical ID:
7035062
Name [?]:
4-(4-chlorobenzoyl)-1-(3-dimethylaminopropyl)-3-hydroxy-5-(3-pentoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCCOc1cccc(c1)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C27H33ClN2O4/c1-4-5-6-17-34-22-10-7-9-20(18-22)24-23(25(31)19-11-13-21(28)14-12-19)26(32)27(33)30(24)16-8-15-29(2)3/h7,9-14,18,24,32H,4-6,8,15-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,24,2,3,4,9,20,10,8,29,33,30,32,21,19,5,12,28,11,31,7,14,13,26,15,16,34,22,18,27,25,17,6/E:(2,3)(11,12)(13,14)/rA:34cCCCCCOCCCCCCCCCCONCCCNCCOCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;d14;s15;d16;s13s16;s18;s19;s20;s21;s22;s22;s15;s14;d26;s26;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H33ClN2O4
All Atoms:67
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:14.3016
Area:783.329
Solvation:-5.28163
Coulombic:-57.4132
Bond Count [?]
All:36
Single:27
Double:9
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:485.015
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.87
LogP (Chemaxon):1.23

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Descriptor Annotations

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