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Chemical ID: 4580390

CCOC(=O)C1(c2c(c3cc(ccc3[nH]2)OC)CCN1C(=O)Nc4ccccc4C(=O)OC)C

Chemical ID:

4580390

Name [?]:

None

SMILES [?]:

CCOC(=O)C1(c2c(c3cc(ccc3[nH]2)OC)CCN1C(=O)Nc4ccccc4C(=O)OC)C

InChi [?]:

InChI=1/C25H27N3O6/c1-5-34-23(30)25(2)21-16(18-14-15(32-3)10-11-20(18)26-21)12-13-28(25)24(31)27-19-9-7-6-8-17(19)22(29)33-4/h6-11,14,26H,5,12-13H2,1-4H3,(H,27,31)

InChi Info:

AuxInfo=1/1/N:1,34,17,33,2,27,26,28,25,12,13,18,19,10,11,8,29,9,24,14,7,30,4,21,6,15,23,20,31,5,22,16,32,3/rA:34cCCOCOCCCCCCCCCNOCCCNCONCCCCCCCOOCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s11;s16;s8;s18;s6s19;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;d30;s30;s32;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₇N₃O₆
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	11.2619
Area:	667.231
Solvation:	-5.41888
Coulombic:	-87.8675

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	465.499
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	3.48
LogP (Chemaxon):	3.78

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