Chemical ID: 4480796

CC(C)c1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCN5CCOCC5)Cl
Chemical ID:
4480796
Name [?]:
None
SMILES [?]:
CC(C)c1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCN5CCOCC5)Cl
InChi [?]:
InChI=1/C27H29ClN2O4/c1-17(2)18-4-6-19(7-5-18)24-23-25(31)21-16-20(28)8-9-22(21)34-26(23)27(32)30(24)11-3-10-29-12-14-33-15-13-29/h4-9,16-17,24H,3,10-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,26,5,9,6,8,17,18,27,25,29,33,30,32,15,2,4,7,16,14,19,11,10,12,21,22,34,28,24,13,23,31,20/E:(1,2)(4,5)(6,7)(12,13)(14,15)/rA:34cCCCCCCCCCCCCOCCCCCCOCCONCCCNCCOCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s21;d22;s10s22;s24;s25;s26;s27;s28;s29;s30;s31;s28s32;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H29ClN2O4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:13.1532
Area:723.05
Solvation:-4.92307
Coulombic:-49.0396
Bond Count [?]
All:38
Single:29
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:480.983
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.26
LogP (Chemaxon):4.06

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue