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Chemical ID: 4567232

CCCCCOc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)N3CC4CC(C3)c5cccc(=O)n5C4

Chemical ID:

4567232

Name [?]:

None

SMILES [?]:

CCCCCOc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)N3CC4CC(C3)c5cccc(=O)n5C4

InChi [?]:

InChI=1/C29H33N3O5S/c1-2-3-4-16-37-25-12-8-22(9-13-25)29(34)30-24-10-14-26(15-11-24)38(35,36)31-18-21-17-23(20-31)27-6-5-7-28(33)32(27)19-21/h5-15,21,23H,2-4,16-20H2,1H3,(H,30,34)

InChi Info:

AuxInfo=1/1/N:1,2,3,4,33,32,34,9,11,17,21,8,12,18,20,5,28,26,38,30,27,10,29,16,7,19,31,35,13,15,25,37,36,14,23,24,6,22/E:(8,9)(10,11)(12,13)(14,15)(35,36)/CRV:38.6/rA:38cCCCCCOCCCCCCCONCCCCCCSOONCCCCCCCCCCONC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;d22;d22;s22;s25;s26;s27;s28;s25s29;s29;d31;s32;d33;s34;d35;s31s35;s27s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₃N₃O₅S
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	3

ZAP Information [?]

Total:	13.2618
Area:	766.576
Solvation:	-5.90258
Coulombic:	-52.011

Bond Count [?]

All:	42
Single:	30
Double:	12
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	535.656
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	3.84
LogP (Chemaxon):	3.89

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value