2-Ethyl-5-methyl-2h-pyrazole-3-carboxylic acid[(1s,2s,5r)-3-(2-methyl-5-m-tolyl-thiazole-4-carbonyl)-3-aza-bicyclo[3.1.0]hex-2-ylmethyl]-amide

HCID 25181711
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기본 정보

표준 SMILES
CCn1nc(C)cc1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(C)sc1-c1cccc(C)c1
InChIKey
LSGKFHYVDHKTIM-IRFCIJBXSA-N
분자식
C25H29N5O2S
평균 분자량
463.6 g/mol
단동위원소 질량
463.20419636

이름 및 식별자

우선 이름
2-Ethyl-5-methyl-2h-pyrazole-3-carboxylic acid[(1s,2s,5r)-3-(2-methyl-5-m-tolyl-thiazole-4-carbonyl)-3-aza-bicyclo[3.1.0]hex-2-ylmethyl]-amide
IUPAC
2-ethyl-5-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]pyrazole-3-carboxamide

이름 및 동의어

SCHEMBL1340428LSGKFHYVDHKTIM-IRFCIJBXSA-N2-ethyl-5-methyl-2h-pyrazole-3-carboxylic acid[(1s,2s,5r)-3-(2-methyl-5-m-tolyl-thiazole-4-carbonyl)-3-aza-bicyclo[3.1.0]hex-2-ylmethyl]-amide

데이터베이스 식별자

PubChem CID
25181711

물성

구조 계산 물성

XLogP
4
극성 표면적
108 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
6
무거운 원자 수
33

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