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Chemical ID: 7358874

CC(C)n1c2c(cn1)c(cc(n2)c3ccccc3)C(=O)NC4CCCCCC4

Chemical ID:

7358874

Name [?]:

N-cycloheptyl-9-isopropyl-3-phenyl-2,8,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene-5-carboxamide

SMILES [?]:

CC(C)n1c2c(cn1)c(cc(n2)c3ccccc3)C(=O)NC4CCCCCC4

InChi [?]:

InChI=1/C23H28N4O/c1-16(2)27-22-20(15-24-27)19(14-21(26-22)17-10-6-5-7-11-17)23(28)25-18-12-8-3-4-9-13-18/h5-7,10-11,14-16,18H,3-4,8-9,12-13H2,1-2H3,(H,25,28)

InChi Info:

AuxInfo=1/1/N:1,3,25,26,16,15,17,24,27,14,18,23,28,10,7,2,13,22,9,6,11,5,19,8,21,12,4,20/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)/rA:28nCCCNCCCNCCCNCCCCCCCONCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s4d7;d6;s9;d10;d5s11;s11;s13;d14;s15;d16;d13s17;s9;d19;s19;s21;s22;s23;s24;s25;s26;s22s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₈N₄O
All Atoms:	56
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	12.6334
Area:	610.355
Solvation:	-2.62548
Coulombic:	-34.2852

Bond Count [?]

All:	31
Single:	23
Double:	8
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	376.495
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	6.14
LogP (Chemaxon):	4.55

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