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Chemical ID: 6513136

Cc1c(c2ccccc2[nH]1)C=c3c(=O)n4c(=NC5=C(C4c6ccccc6)CCc7c5cccc7)s3

Chemical ID:

6513136

Name [?]:

None

SMILES [?]:

Cc1c(c2ccccc2[nH]1)C=c3c(=O)n4c(=NC5=C(C4c6ccccc6)CCc7c5cccc7)s3

InChi [?]:

InChI=1/C30H23N3OS/c1-18-24(22-13-7-8-14-25(22)31-18)17-26-29(34)33-28(20-10-3-2-4-11-20)23-16-15-19-9-5-6-12-21(19)27(23)32-30(33)35-26/h2-14,17,28,31H,15-16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,24,23,25,33,32,6,7,34,22,26,31,5,8,28,27,11,2,29,21,30,4,19,3,9,12,18,20,13,16,10,17,15,14,35/E:(3,4)(10,11)/rA:35cCCCCCCCCCNCCCONCNCCCCCCCCCCCCCCCCCS/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s3;w11;s12;d13;s13;s15;d16;s17;d18;s15s19;s20;s21;d22;s23;d24;d21s25;s19;s27;s28;s18s29;d30;s31;d32;d29s33;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₂₃N₃OS
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	13.6731
Area:	664.021
Solvation:	-2.92742
Coulombic:	-38.0036

Bond Count [?]

All:	41
Single:	27
Double:	14
Rotors:	2
Chiral:	1
Rigid Segments:	3

Chemical Properties

Molecular Weight:	473.589
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.47
LogP (Chemaxon):	6.42

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