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Chemical ID: 7538765

CCCN1c2ccccc2C3(C1=O)c4c(=O)c5cc(ccc5oc4C(=O)N3Cc6ccc(cc6)OC)Cl

Chemical ID:

7538765

Name [?]:

None

SMILES [?]:

CCCN1c2ccccc2C3(C1=O)c4c(=O)c5cc(ccc5oc4C(=O)N3Cc6ccc(cc6)OC)Cl

InChi [?]:

InChI=1/C29H23ClN2O5/c1-3-14-31-22-7-5-4-6-21(22)29(28(31)35)24-25(33)20-15-18(30)10-13-23(20)37-26(24)27(34)32(29)16-17-8-11-19(36-2)12-9-17/h4-13,15H,3,14,16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,36,2,8,7,9,6,30,34,20,31,33,21,3,18,28,29,19,32,17,10,5,22,14,15,24,25,12,11,37,4,27,16,26,13,35,23/E:(8,9)(11,12)/rA:37cCCCNCCCCCCCCOCCOCCCCCCOCCONCCCCCCCOCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;d12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s11s25;s27;s28;s29;d30;s31;d32;d29s33;s32;s35;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₃ClN₂O₅
All Atoms:	60
Heavy Atoms:	37
Chiral Atoms:	None

ZAP Information [?]

Total:	12.0596
Area:	697.595
Solvation:	-5.38026
Coulombic:	-59.9818

Bond Count [?]

All:	42
Single:	29
Double:	13
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.56
LogP (Chemaxon):	None

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value