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Chemical ID: 3855600

Cc1cccc(c1)C2=NCC(=O)N(c3c2c4c(s3)CCC4)CC(=O)N5CCCC5

Chemical ID:

3855600

Name [?]:

None

SMILES [?]:

Cc1cccc(c1)C2=NCC(=O)N(c3c2c4c(s3)CCC4)CC(=O)N5CCCC5

InChi [?]:

InChI=1/C23H25N3O2S/c1-15-6-4-7-16(12-15)22-21-17-8-5-9-18(17)29-23(21)26(19(27)13-24-22)14-20(28)25-10-2-3-11-25/h4,6-7,12H,2-3,5,8-11,13-14H2,1H3

InChi Info:

AuxInfo=1/0/N:1,27,28,4,20,3,5,21,19,26,29,7,10,22,2,6,16,17,11,23,15,8,14,9,25,13,12,24,18/E:(2,3)(10,11)/rA:29nCCCCCCCCNCCONCCCCSCCCCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;s10;d11;s11;s13;s8d14;s15;d16;s14s17;s17;s19;s16s20;s13;s22;d23;s23;s25;s26;s27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₅N₃O₂S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.263
Area:	597.098
Solvation:	-3.6645
Coulombic:	-39.2555

Bond Count [?]

All:	33
Single:	25
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	407.53
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	1.7
LogP (Chemaxon):	2.48

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